ChemSpider 2D Image | colossolactone VII | C33H50O7

colossolactone VII

  • Molecular FormulaC33H50O7
  • Average mass558.746 Da
  • Monoisotopic mass558.355652 Da
  • ChemSpider ID28532953

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

1H-Benz[e]indene-6-propanoic acid, 6-[(acetyloxy)methyl]-3-[(1S)-1-[(2R)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-, me thyl ester, (3aR,6R,7R,9bR)- [ACD/Index Name]
3-[(3aR,6R,7R,9bR)-6-(Acétoxyméthyl)-7-(2-hydroxy-2-propanyl)-3a,9b-diméthyl-3-{(1S)-1-[(2R)-5-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]éthyl}-2,3,3a,4,5,6,7,8,9,9b-décahydro-1H-cyclopenta[a]naphtalén-6 -yl]propanoate de méthyle [French] [ACD/IUPAC Name]
colossolactone VII
Methyl 3-[(3aR,6R,7R,9bR)-6-(acetoxymethyl)-7-(2-hydroxy-2-propanyl)-3a,9b-dimethyl-3-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naph thalen-6-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[(3aR,6R,7R,9bR)-6-(acetoxymethyl)-7-(2-hydroxy-2-propanyl)-3a,9b-dimethyl-3-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naph thalin-6-yl]propanoat [German] [ACD/IUPAC Name]
(22S)-3,4-seco-19-acetoxy-4-hydroxylanosta-8,24-dien-26,22-olide 3-methyl ester
methyl 3-[(3aR,6R,7R,9bR)-6-[(acetyloxy)methyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-3-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]
methyl 3-[(3aR,6R,7R,9bR)-6-[(acetyloxy)methyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-3-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
naphthalen-6-yl]propanoate
  • Miscellaneous

    • Chemical Class:

      A tricyclic triterpenoid that is 3,4-seco-lanosta-8,24-diene-26,22-olide 3-methylester substituted by an acetoxy group at position 19 and a hydroxy group at position 4. It is isolated from the fruitin g bodies of the Vietnamese mushroom <ital>Ganoderma colossum</ital> and displays inhibitory activity towards the enzyme HIV protease. ChEBI CHEBI:65650
      A tricyclic triterpenoid that is 3,4-seco-lanosta-8,24-diene-26,22-olide 3-methylester substituted by an acetoxy group at position 19 and a hydroxy group at position 4. It is isolated from the fruitin g bodies of the Vietnamese mushroom Ganoderma colossum and displays inhibitory activity towards the enzyme HIV protease. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65650, CHEBI:65650

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

Density: 1.1±0.1 g/cm3
Boiling Point: 636.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 192.8±19.4 °C
Index of Refraction: 1.539
Molar Refractivity: 152.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 59670.77
ACD/KOC (pH 5.5): 91216.12
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 59670.77
ACD/KOC (pH 7.4): 91216.12
Polar Surface Area: 99 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 488.3±5.0 cm3

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