ChemSpider 2D Image | colossolactone VIII | C32H42O7

colossolactone VIII

  • Molecular FormulaC32H42O7
  • Average mass538.672 Da
  • Monoisotopic mass538.293030 Da
  • ChemSpider ID23328583

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3R,3aR,11aR,13bR)-3-{(1S)-1-[(2S,3R)-3-Hydroxy-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3a,11,11,13b-tetramethyl-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodecahydroindeno[5',4':4,5]cyclohepta [1,2-c]oxepin-1-yl acetate [ACD/IUPAC Name]
(1R,3R,3aR,11aR,13bR)-3-{(1S)-1-[(2S,3R)-3-Hydroxy-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3a,11,11,13b-tetramethyl-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodecahydroindeno[5',4':4,5]cyclohepta [1,2-c]oxepin-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,3R,3aR,11aR,13bR)-3-{(1S)-1-[(2S,3R)-3-hydroxy-5-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]éthyl}-3a,11,11,13b-tétraméthyl-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodécahydroindéno[5',4':4,5 ]cyclohepta[1,2-c]oxépin-1-yle [French] [ACD/IUPAC Name]
colossolactone VIII
Indeno[5',4':4,5]cyclohept[1,2-c]oxepin-9(1H)-one, 1-(acetyloxy)-3-[(1S)-1-[(2S,3R)-3,6-dihydro-3-hydroxy-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-2,3,3a,4,5,11,11a,12,13,13b-decahydro-3a,11,11,13b-tetrame thyl-, (1R,3R,3aR,11aR,13bR)- [ACD/Index Name]
(1R,3R,3aR,11aR,13bR)-3-{(1S)-1-[(2S,3R)-3-hydroxy-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3a,11,11,13b-tetramethyl-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodecahydroindeno[5',4':4,5]cyclohepta
(1R,3R,3aR,11aR,13bR)-3-{(1S)-1-[(2S,3R)-3-hydroxy-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3a,11,11,13b-tetramethyl-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodecahydroindeno[5',4':4,5]cyclohepta[1,2-c]oxepin-1-yl acetate
(22S, 23R)-A,B-dihomo-19-nor-15-β-acetoxy-23-hydroxy-4-oxa-3-oxolanosta-1,8,19,24-tetraen-26,22-olide
[1,2-c]oxepin-1-yl acetate
1031799-03-7 [RN]
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  • Miscellaneous

    • Chemical Class:

      A tetracyclic triterpenoid that is A,B-dihomo-19-nor-4-oxalanosta-1,8,19,24-tetraen-26,22-olide substituted by an acetoxy group at position 15, a hydroxy group at position 23 and an oxo group at posit ion 3 (the 22<stereo>S</stereo>, 23<stereo>R</stereo> stereoisomer). It is isolated from the fruiting bodies of the Vietnamese mushroom <ital>Ganoderma colossum</ital> and displays inhibitory activity towards the enzyme HIV protease. ChEBI CHEBI:65651
      A tetracyclic triterpenoid that is A,B-dihomo-19-nor-4-oxalanosta-1,8,19,24-tetraen-26,22-olide substituted by an acetoxy group at position 15, a hydroxy group at position 23 and an oxo group at posit ion 3 (the 22S, 23R stereoisomer). It is isolated from the fruiting bodies of the Vietnamese mushroom Ganoderma colossum and displays inhibitory activity towards the enzyme HIV protease. ChEBI CHEBI:65651
      A tetracyclic triterpenoid that is A,B-dihomo-19-nor-4-oxalanosta-1,8,19,24-tetraen-26,22-olide substituted by an acetoxy group at position 15, a hydroxy group at position 23 and an oxo group at posit ion 3 (the 22S, 23R stereoisomer). It is isolated from the fruiting 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:65651

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 232.9±26.4 °C
Index of Refraction: 1.575
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2916.06
ACD/KOC (pH 5.5): 10512.28
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2915.99
ACD/KOC (pH 7.4): 10512.02
Polar Surface Area: 99 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 440.8±5.0 cm3

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