ChemSpider 2D Image | SUMARESINOLIC ACID | C30H48O4

SUMARESINOLIC ACID

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23326736
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3β,6β)-3,6-Dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,6β)-3,6-Dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
3β-6β-DIHYDROXY OLEAN-12-EN-28-OIC ACID
559-64-8 [RN]
Acide (3β,6β)-3,6-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,6-dihydroxy-, (3β,6β)- [ACD/Index Name]
SUMARESINOLIC ACID
(4aS,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-8,10-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
[559-64-8]
3β-6β-DIHYDROXY OLEAN-12-EN-28-OIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZLX0T88D9C [DBID]
UNII:ZLX0T88D9C [DBID]
UNII-ZLX0T88D9C [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 585.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 321.6±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: 7.36
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 20181.88
ACD/KOC (pH 5.5): 22664.78
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 317.30
ACD/KOC (pH 7.4): 356.34
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

Click to predict properties on the Chemicalize site






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