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Search term: JBMZWHIPLKEEMI-OSFFKXSWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 19,20-diacetoxyspongia-13(16),14-diene | C24H34O5

19,20-diacetoxyspongia-13(16),14-diene

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID24693458

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(3bR,5aS,6S,9aS,9bS)-3b,6-Dimethyl-3b,5,5a,6,7,8,9,9b,10,11-decahydrophenanthro[1,2-c]furan-6,9a(4H)-diyl]bis(methylene) diacetate [ACD/IUPAC Name]
[(3bR,5aS,6S,9aS,9bS)-3b,6-Dimethyl-3b,5,5a,6,7,8,9,9b,10,11-decahydrophenanthro[1,2-c]furan-6,9a(4H)-diyl]dimethylen-diacetat [German] [ACD/IUPAC Name]
19,20-diacetoxyspongia-13(16),14-diene
Diacétate de [(3bR,5aS,6S,9aS,9bS)-3b,6-diméthyl-3b,5,5a,6,7,8,9,9b,10,11-décahydrophénanthro[1,2-c]furane-6,9a(4H)-diyl]diméthylène [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-6,9a(4H)-dimethanol, 3b,5,5a,6,7,8,9,9b,10,11-decahydro-3b,6-dimethyl-, diacetate, (3bR,5aS,6S,9aS,9bS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466560/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 463.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.1±23.2 °C
Index of Refraction: 1.507
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19654.75
ACD/KOC (pH 5.5): 41195.57
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19654.75
ACD/KOC (pH 7.4): 41195.57
Polar Surface Area: 66 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 366.1±3.0 cm3

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