ChemSpider 2D Image | (4aS,6bR,8aR,10R,11R,12aR,12bR,14aS,14bS)-10,11-Dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4a(2H)-picenecarboxylic acid | C30H48O4

(4aS,6bR,8aR,10R,11R,12aR,12bR,14aS,14bS)-10,11-Dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4a(2H)-picenecarboxylic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID24693987

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aS,6bR,8aR,10R,11R,12aR,12bR,14aS,14bS)-10,11-Dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4a(2H)-picencarbonsäure [German] [ACD/IUPAC Name]
(4aS,6bR,8aR,10R,11R,12aR,12bR,14aS,14bS)-10,11-Dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4a(2H)-picenecarboxylic acid [ACD/IUPAC Name]
4a(2H)-Picenecarboxylic acid, 1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-10,11-dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-, (4aS,6bR,8aR,10R,11R,12aR,12bR,14aS,14bS)- [ACD/Index Name]
94390-09-7 [RN]
Acide (4aS,6bR,8aR,10R,11R,12aR,12bR,14aS,14bS)-10,11-dihydroxy-2,2,6b,9,9,12a,14a-heptaméthyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadécahydro-4a(2H)-picènecarboxylique [French] [ACD/IUPAC Name]
[94390-09-7] [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469925/
MFCD20260778
Sebiferenic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 570.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 98.2±6.0 kJ/mol
    Flash Point: 312.6±26.6 °C
    Index of Refraction: 1.568
    Molar Refractivity: 135.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 7.94
    ACD/LogD (pH 5.5): 6.56
    ACD/BCF (pH 5.5): 31701.48
    ACD/KOC (pH 5.5): 29224.71
    ACD/LogD (pH 7.4): 4.75
    ACD/BCF (pH 7.4): 499.80
    ACD/KOC (pH 7.4): 460.75
    Polar Surface Area: 78 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 49.0±5.0 dyne/cm
    Molar Volume: 412.8±5.0 cm3

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