ChemSpider 2D Image | colossolactone V | C35H54O9

colossolactone V

  • Molecular FormulaC35H54O9
  • Average mass618.798 Da
  • Monoisotopic mass618.376770 Da
  • ChemSpider ID23328580

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2Z,5R,6S)-5-Acetoxy-6-[(3R,3aR,6R,7R,9bR)-6-(acetoxymethyl)-7-(2-hydroxy-2-propanyl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methyl -2-heptenoic acid [ACD/IUPAC Name]
(2Z,5R,6S)-5-Acetoxy-6-[(3R,3aR,6R,7R,9bR)-6-(acetoxymethyl)-7-(2-hydroxy-2-propanyl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalin-3-yl]-2-methyl -2-heptensäure [German] [ACD/IUPAC Name]
1031798-95-4 [RN]
1H-Benz[e]indene-6-propanoic acid, 3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-, α -methyl ester, (3R,3aR,6R,7R,9bR)- [ACD/Index Name]
6-Methyl (3R,3aR,6R,7R,9bR)-3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-1H-benz[e]indene-6-propanoate
Acide (2Z,5R,6S)-5-acétoxy-6-[(3R,3aR,6R,7R,9bR)-6-(acétoxyméthyl)-7-(2-hydroxy-2-propanyl)-6-(3-méthoxy-3-oxopropyl)-3a,9b-diméthyl-2,3,3a,4,5,6,7,8,9,9b-décahydro-1H-cyclopenta[a]naphtalén-3-yl]-2-m éthyl-2-hepténoïque [French] [ACD/IUPAC Name]
colossolactone V
(22R)-3,4-seco-19,22-diacetoxy-4-hydroxylanosta-8,24(Z)-dien-3,26-dioic acid 3-methyl ester
(22R)-3,4-seco-19,22-diacetoxy-4-hydroxylanosta-8,24(Z)-dien-3,26-dioic acid 3-methylester
(2Z,5R,6S)-5-(acetyloxy)-6-[(3R,3aR,6R,7R,9bR)-6-[(acetyloxy)methyl]-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-
More...
  • Miscellaneous

    • Chemical Class:

      A tricyclic triterpenoid that is 3,4-secolanosta-8,24-diene-3,26-dioic acid 3-methylester substituted by acetoxy groups at positions 19 and 22 and a hydroxy group at position 4. It is isolated from th e fruiting bodies of the Vietnamese mushroom <ital>Ganoderma colossum</ital> and displays inhibitory activity towards the enzyme HIV protease. ChEBI CHEBI:65649
      A tricyclic triterpenoid that is 3,4-secolanosta-8,24-diene-3,26-dioic acid 3-methylester substituted by acetoxy groups at positions 19 and 22 and a hydroxy group at position 4. It is isolated from th e 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:65649, CHEBI:65649

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 204.7±22.2 °C
Index of Refraction: 1.534
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 12495.00
ACD/KOC (pH 5.5): 17368.37
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 199.20
ACD/KOC (pH 7.4): 276.89
Polar Surface Area: 136 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 533.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement