ChemSpider 2D Image | (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one | C20H28O3

(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID21196344
  • defined stereocentres - 9 of 9 defined stereocentres


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(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-on [German] [ACD/IUPAC Name]
(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one [ACD/IUPAC Name]
(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-diméthyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tétradécahydrocyclopropa[4,5]cyclopenta[1,2-a]phénanthrén-7(1H)-one [French] [ACD/IUPAC Name]
3β,5β-Dihydroxy-15β,16β-methylene-5 β-androst-6-en-17-one
82543-15-5 [RN]
Cyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one, 2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydro-2,10a-dihydroxy-4a,6a-dimethyl-, (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)- [ACD/Index Name]
L F6 C6 B653 PV DUTJ FQ HQ K1 O1 &&stereoisomer [WLN]
(2S,4aR,4bS,6aS,7aS,8aS,8bS,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one
(3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one
(3β,5β,15α,16α)-15,16-DIHYDRO-3,5-DIHYDROXY-3'H-CYCLOPROP[15,16]ANDROSTA-6,15-DIEN-17-ONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 467.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 250.5±25.2 °C
Index of Refraction: 1.611
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.63
ACD/KOC (pH 5.5): 354.77
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.63
ACD/KOC (pH 7.4): 354.77
Polar Surface Area: 58 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 251.4±3.0 cm3

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