ChemSpider 2D Image | (3beta,20xi,22xi,23R)-17,23-Epoxyveratraman-3-ol | C27H41NO2

(3β,20ξ,22ξ,23R)-17,23-Epoxyveratraman-3-ol

  • Molecular FormulaC27H41NO2
  • Average mass411.620 Da
  • Monoisotopic mass411.313721 Da
  • ChemSpider ID21423229

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,20ξ,22ξ,23R)-17,23-Epoxyveratraman-3-ol [ACD/IUPAC Name]
(3β,20ξ,22ξ,23R)-17,23-Époxyvératraman-3-ol [French] [ACD/IUPAC Name]
(3β,20ξ,22ξ,23R)-17,23-Epoxyveratrumaman-3-ol [German] [ACD/IUPAC Name]
Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (3S,6'S,6aS,6bS,7a'R,9R,11aS,11bR)- [ACD/Index Name]
(3S,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
1173660-52-0 [RN]
4449-51-8 [RN]
MFCD01735266 [MDL number]
MFCD09878269 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 286.9±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 10.55
ACD/KOC (pH 5.5): 24.80
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 19.12
ACD/KOC (pH 7.4): 44.94
Polar Surface Area: 41 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 361.0±5.0 cm3

Click to predict properties on the Chemicalize site


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