ChemSpider 2D Image | ganoderic acid B | C30H44O7

ganoderic acid B

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID413669

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3β,7β,25R)-3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,7β,25R)-3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
81907-61-1 [RN]
Acide (3β,7β,25R)-3,7-dihydroxy-11,15,23-trioxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
ganoderic acid B
Lanost-8-en-26-oic acid, 3,7-dihydroxy-11,15,23-trioxo-, (3β,7β,25R)- [ACD/Index Name]
(1AS,1bR,5aS,6aS)-3-(4-methoxyphenyl)hexahydrooxireno[2',3':4,5]cyclopenta[1,2-d][1,3]dioxine
(25R)-11,15,23-trioxo-3β,7β-dihydroxy-lanost-8-ene-26-oic acid
(2R,6R)-6-((3S,5R,7S,10S,13R,14R,17R)-3,7-Dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
(2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-11,15-diketo-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-keto-2-methyl-enanthic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AV74TFJ3IS [DBID]
AIDS070760 [DBID]
AIDS-070760 [DBID]
UNII:AV74TFJ3IS [DBID]
UNII-AV74TFJ3IS [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 689.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.9 mmHg at 25°C
    Enthalpy of Vaporization: 115.5±6.0 kJ/mol
    Flash Point: 384.4±28.0 °C
    Index of Refraction: 1.565
    Molar Refractivity: 137.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.33
    ACD/LogD (pH 5.5): 1.99
    ACD/BCF (pH 5.5): 12.16
    ACD/KOC (pH 5.5): 122.82
    ACD/LogD (pH 7.4): 0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.97
    Polar Surface Area: 129 Å2
    Polarizability: 54.4±0.5 10-24cm3
    Surface Tension: 53.2±5.0 dyne/cm
    Molar Volume: 421.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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