ChemSpider 2D Image | deoxyflindissone | C30H46O2

deoxyflindissone

  • Molecular FormulaC30H46O2
  • Average mass438.685 Da
  • Monoisotopic mass438.349792 Da
  • ChemSpider ID34448460

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(13α,14β,17α,20S,23R)-21,23-Epoxylanosta-7,24-dien-3-on [German] [ACD/IUPAC Name]
(13α,14β,17α,20S,23R)-21,23-Epoxylanosta-7,24-dien-3-one [ACD/IUPAC Name]
(13α,14β,17α,20S,23R)-21,23-Époxylanosta-7,24-dién-3-one [French] [ACD/IUPAC Name]
deoxyflindissone
Lanosta-7,24-dien-3-one, 21,23-epoxy-, (13α,14β,17α,20S,23R)- [ACD/Index Name]
(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(3S,5R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
107176-31-8 [RN]
21,23-epoxytirucalla-7,24-diene-3-one
  • Miscellaneous

    • Chemical Class:

      A tirucallane triterpenoid that is (13<stereo>alpha</stereo>,14<stereo>beta</stereo>,17<stereo>alpha</stereo>,20<stereo>S</stereo>,23<stereo>R</stereo>)-21,23-epoxylanosta-7,24-diene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of <ital>Cornus walteri</ital>. ChEBI CHEBI:70121
      A tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S,23R)-21,23-epoxylanosta-7,24-diene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of Cornus walteri. ChEBI CHEBI:70121
      A tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S,23R)-21,23-epoxylanosta-7,24-diene substituted by an; oxo group at position 3. It has been isolated from the stem and stem barks of Corn us walteri. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70121

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

Density: 1.0±0.1 g/cm3
Boiling Point: 517.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 175.6±23.7 °C
Index of Refraction: 1.542
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 449618.28
ACD/KOC (pH 5.5): 387148.66
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 449618.28
ACD/KOC (pH 7.4): 387148.66
Polar Surface Area: 26 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 419.3±5.0 cm3

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