ChemSpider 2D Image | (3beta)-3-Hydroxy-23-(sulfooxy)olean-12-en-28-oic acid | C30H48O7S

(3β)-3-Hydroxy-23-(sulfooxy)olean-12-en-28-oic acid

  • Molecular FormulaC30H48O7S
  • Average mass552.763 Da
  • Monoisotopic mass552.312073 Da
  • ChemSpider ID397850

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxy-23-(sulfooxy)olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-Hydroxy-23-(sulfooxy)olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-hydroxy-23-(sulfooxy)oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-, (3β)- [ACD/Index Name]
(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(sulfooxy)methyl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(sulfooxy)methyl]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
125343-14-8 [RN]
OLEAN-12-EN-28-OIC ACID, 3-HYDROXY-23-(SULFOOXY)-,(3SS,4A)
Olean-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-,(3β,4α)
Olean-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-,(3β,4α)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000627 [DBID]
AIDS-000627 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 130 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 436.9±5.0 cm3

Click to predict properties on the Chemicalize site


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