ChemSpider 2D Image | (1R,4aR,6S,8aS)-6-Hydroxy-1-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-5,5,8a-trimethyloctahydro-2(1H)-naphthalenone | C29H48O3

(1R,4aR,6S,8aS)-6-Hydroxy-1-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-5,5,8a-trimethyloctahydro-2(1H)-naphthalenone

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID28424466

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4aR,6S,8aS)-6-Hydroxy-1-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]ethyl}-5,5,8a-trimethyloctahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
(1R,4aR,6S,8aS)-6-Hydroxy-1-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]éthyl}-5,5,8a-triméthyloctahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(1R,4aR,6S,8aS)-6-Hydroxy-1-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-5,5,8a-trimethyloctahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
2(1H)-Naphthalenone, 1-[2-[(1S,4aR,6S,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethyl]octahydro-6-hydroxy-5,5,8a-trimethyl-, (1R,4aR,6S,8aS)- [ACD/Index Name]
[125124-68-7] [RN]
125124-68-7 [RN]
26-nor-8-oxo-α-onocerin
26-Nor-8-oxo-α-onocerin
MFCD20260707

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

Density: 1.1±0.1 g/cm3
Boiling Point: 543.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 296.7±26.6 °C
Index of Refraction: 1.535
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24689.26
ACD/KOC (pH 5.5): 48500.07
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24689.26
ACD/KOC (pH 7.4): 48500.07
Polar Surface Area: 58 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 420.0±5.0 cm3

Click to predict properties on the Chemicalize site


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