ChemSpider 2D Image | (3beta,9beta,10alpha,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one | C27H39NO3

(3β,9β,10α,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one

  • Molecular FormulaC27H39NO3
  • Average mass425.603 Da
  • Monoisotopic mass425.292999 Da
  • ChemSpider ID114814915

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,9β,10α,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one [ACD/IUPAC Name]
(3β,9β,10α,22S,23R)-3-Hydroxy-17,23-époxyvératraman-11-one [French] [ACD/IUPAC Name]
(3β,9β,10α,22S,23R)-3-Hydroxy-17,23-epoxyveratrumaman-11-on [German] [ACD/IUPAC Name]
Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-11(1H)-one, 2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-, (3S,3'R,3a'S,6'S,6aS,6bS,7a'R,9R,11 aR,11bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 311.8±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 5.75
Polar Surface Area: 59 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 357.8±5.0 cm3

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