ChemSpider 2D Image | dzununcanone | C30H42O5

dzununcanone

  • Molecular FormulaC30H42O5
  • Average mass482.651 Da
  • Monoisotopic mass482.303223 Da
  • ChemSpider ID28532977

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,4aR,4bS,6aR,7Z,10bS,12aS)-8-Acétyl-7-(2-méthoxy-2-oxoéthylidène)-3,4b,6a,10b,12a-pentaméthyl-1,2,3,4,4a,4b,5,6,6a,7,10b,11,12,12a-tétradécahydro-3-chrysènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Chrysenecarboxylic acid, 8-acetyl-1,2,3,4,4a,4b,5,6,6a,7,10b,11,12,12a-tetradecahydro-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-, methyl ester, (3R,4aR,4bS,6aR,7Z,10bS,12aS)- [ACD/Index Name]
dzununcanone
Methyl (3R,4aR,4bS,6aR,7Z,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10b,11,12,12a-tetradecahydro-3-chrysenecarboxylate [ACD/IUPAC Name]
Methyl-(3R,4aR,4bS,6aR,7Z,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethyliden)-3,4b,6a,10b,12a-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10b,11,12,12a-tetradecahydro-3-chrysencarboxylat [German] [ACD/IUPAC Name]
3,24-dinor-2,4-seco-4-oxo-friedelan-1(10),5,7-triene-2,29-dioic acid dimethylester
methyl (3R,4aR,4bS,6aR,7Z,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10b,11,12,12a-tetradecahydrochrysene-3-carboxylate
  • Miscellaneous

    • Chemical Class:

      A tetracyclic triterpenoid that is 3,24-dinor-2,4-seco-friedelan-1(10),5,7-triene substituted by methoxycarbonyl groups at positions 2 and 29 and an oxo group at position 4. Isolated from the root bar k of <ital>Hippocratea excelsa</ital>, it exhibits anti-protozoal activity against <ital>Giardia intestinalis</ital>. ChEBI CHEBI:65818
      A tetracyclic triterpenoid that is 3,24-dinor-2,4-seco-friedelan-1(10),5,7-triene substituted by methoxycarbonyl groups at positions 2 and 29 and an oxo group at position 4. Isolated from the root bar k of Hippocratea excelsa, it exhibits anti-protozoal activity against Giardia intestinalis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65818, CHEBI:65818

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 235.3±30.2 °C
Index of Refraction: 1.545
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 115487.45
ACD/KOC (pH 5.5): 146332.38
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 115487.45
ACD/KOC (pH 7.4): 146332.38
Polar Surface Area: 70 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 428.8±5.0 cm3

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