ChemSpider 2D Image | DIHYDROCUCURBITACIN B | C32H48O8

DIHYDROCUCURBITACIN B

  • Molecular FormulaC32H48O8
  • Average mass560.719 Da
  • Monoisotopic mass560.334900 Da
  • ChemSpider ID234905
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2S,4R,9β,16α)-2,16,20-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate [ACD/IUPAC Name]
(2S,4R,9β,16α)-2,16,20-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl-acetat [German] [ACD/IUPAC Name]
13201-14-4 [RN]
Acétate de (2S,4R,9β,16α)-2,16,20-trihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholest-5-én-25-yle [French] [ACD/IUPAC Name]
DIHYDROCUCURBITACIN B
Estr-5-ene-3,11-dione, 17-[(1R)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxohexyl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (2β,9β,10α,16α,17β)- [ACD/Index Name]
(10α)-25-(Acetyloxy)-2β,16α,20-trihydroxy-9β-methyl-19-norlanost-5-ene-3,11,22-trione
(2S,4R)-2,16β,20-trihydroxy-9β,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate
23,24-dihydrocucurbitacin B
25-acetoxy-2β,16α,20-trihydroxy-10α-cucurbit-5-ene-3,11,22-trione
More...

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

ZYL5IKR83R [DBID]
NSC106401 [DBID]
UNII:ZYL5IKR83R [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 215.4±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.36
ACD/KOC (pH 5.5): 1028.47
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.36
ACD/KOC (pH 7.4): 1028.47
Polar Surface Area: 138 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 460.0±5.0 cm3

Click to predict properties on the Chemicalize site






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