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Cucurbitacin D

Molecular FormulaC₃₀H₄₄O₇
Average mass516.666 Da
Monoisotopic mass516.308716 Da
ChemSpider ID4444695

- Double-bond stereo
- 9 of 9 defined stereocentres

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,4R,9β,16α,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-1,11,22-trion [German] [ACD/IUPAC Name]

(2S,4R,9β,16α,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione [ACD/IUPAC Name]

(2S,4R,9β,16α,23E)-2,16,20,25-Tétrahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-secocholesta-5,23-diène-1,11,22-trione [French]

(2S,4R,9β,16α,23E)-2,16,20,25-Tétrahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,23-diène-1,11,22-trione [French] [ACD/IUPAC Name]

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R,4E)-2,6-Dihydroxy-6-methyl-3-oxo-4-hepten-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3,11(2H,4H)-dion

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R,4E)-2,6-Dihydroxy-6-méthyl-3-oxo-4-heptèn-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentaméthyl-7,8,9,10,12,13,14,15,16,17-décahydro-1H-cyclopenta[a]phénanthrène-3,11(2H,4H)-dione [French]

3877-86-9 [RN]

5I62H4ORC7

Cucurbitacin D [Wiki]

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Estr-5-ene-3,11-dione, 17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (2β,9β,10α,16α,17β)- [ACD/Index Name]

(1R,2R,4S,10S,11S,13R,14R,15R)-14-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-ene-5,17-dione

(23E)-2β,16α,20,25- tetrahydroxy-9β-methyl-19-nor-10α-lanosta-5,23-diene-3,11,22-trione

(23E)-2β,16α,20,25-tetrahydroxy-10α-cucurbita-5,23-diene-3,11,22-trione

(2S,4R,23E)-2,16,20,25-tetrahydroxy-9β,10,14-trimethyl-4,9-cyclo-9,10-seco-16α-cholesta-5,23-diene-1,11,22-trione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-((R,E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-1,4,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11(2H)-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

[(5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate

[(6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate

[(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate

[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate

[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate18444-66-1

19-nor-9β, 10α-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2β, 16α,20,25-tetrahydroxy-

19-Nor-9β,10α-lanosta-1,5,23-triene-3,11,22-trione, 2,16α,20,25-tetrahydroxy-9-methyl-, 25-acetate

19-Nor-9-β,10-α-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-β,16-α,20,25-tetrahydroxy-

19-nor-9β,10α-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2β,16α,20,25-tetrahydroxy-

19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9β,10α,16α,23E)-

19-Norlanosta-5,23-diene-3,11, 22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2β,9β, 10α,16α,23E)-

19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2β,9β,10α,16α,23E)-

19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2β,9β,10α,16α,23E)- (9CI)

19-Norlanosta-5,23-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (2b,9b,10a,16a,23E)-

Elatericin A

Elatericine A

ELATERIN, α

LMST01010106

LMST01010107

MFCD01711333

MFCD28963759

UNII:5I62H4ORC7

UNII-5I62H4ORC7

UNII-W3RWP6CB48

α-Elaterin

α-Elaterine

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08796 [DBID]

C08797 [DBID]

NCI60_000150 [DBID]

NCI60_002636 [DBID]

NSC 308606 [DBID]

NSC 521776 [DBID]

NSC308606 [DBID]

NSC521775 [DBID]

NSC521776 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous

Chemical Class:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.2±0.1 g/cm³
Boiling Point:	684.0±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization:	114.7±6.0 kJ/mol
Flash Point:	381.4±28.0 °C
Index of Refraction:	1.582
Molar Refractivity:	138.8±0.4 cm³
#H bond acceptors:	7
#H bond donors:	4
#Freely Rotating Bonds:	4
#Rule of 5 Violations:	1

ACD/LogP:	1.48
ACD/LogD (pH 5.5):	2.40
ACD/BCF (pH 5.5):	39.00
ACD/KOC (pH 5.5):	479.17
ACD/LogD (pH 7.4):	2.40
ACD/BCF (pH 7.4):	39.00
ACD/KOC (pH 7.4):	479.17
Polar Surface Area:	132 Å²
Polarizability:	55.0±0.5 10^-24cm³
Surface Tension:	55.9±5.0 dyne/cm
Molar Volume:	415.7±5.0 cm³

Click to predict properties on the Chemicalize site

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Cucurbitacin D

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