ChemSpider 2D Image | Cucurbitacin D | C30H44O7

Cucurbitacin D

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID4444695
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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-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]phenanthrene-3,11(2H,4H)-dione
(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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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]
  • Miscellaneous
    • Chemical Class:

      A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23. ChEBI CHEBI:3943

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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