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ChemSpider 2D Image | Cucurbitacin H | C30H46O8

Cucurbitacin H

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID390401
  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2S,4R,9β,16α)-2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1,11,22-trion [German] [ACD/IUPAC Name]
(2S,4R,9β,16α)-2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,22-trione [ACD/IUPAC Name]
(2S,4R,9β,16α)-2,16,20,24,25-Pentahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-ène-1,11,22-trione [French] [ACD/IUPAC Name]
Cucurbitacin H
Estr-5-ene-3,11-dione, 2,16-dihydroxy-4,4,9,14-tetramethyl-17-[(1R)-1,4,5-trihydroxy-1,5-dimethyl-2-oxohexyl]-, (2β,9β,10α,16α,17β)- [ACD/Index Name]
19-NORLANOST-5-ENE-3,11,22-TRIONE,2,16,20,24,25-PENTAHYDROXY-9-METHYL-, (2B,9B,10A,16A)-
751-95-1 [RN]
751-96-2 [RN]

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

C08799 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 405.2±29.4 °C
Index of Refraction: 1.583
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.03
ACD/KOC (pH 5.5): 154.55
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 8.03
ACD/KOC (pH 7.4): 154.55
Polar Surface Area: 152 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 420.2±5.0 cm3

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