ChemSpider 2D Image | (3beta)-3,23-Diacetoxy-11-oxoolean-12-en-28-oic acid | C34H50O7

(3β)-3,23-Diacetoxy-11-oxoolean-12-en-28-oic acid

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID303875

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3,23-Diacetoxy-11-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3,23-Diacetoxy-11-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3,23-diacétoxy-11-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,23-bis(acetyloxy)-11-oxo-, (3β)- [ACD/Index Name]
(4AS,6AS,6AS,6BR,8AR,9R,10S,12AS,14BR)-10-ACETYLOXY-9-(ACETYLOXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-13-OXO-3,4,5,6,6A,7,8,8A,10,11,12,14B-DODECAHYDRO-1H-PICENE-4A-CARBOXYLIC ACID
(4AS,6AS,6BR,8AR,9R,10S,12AS,12BR,14BS)-10-(ACETYLOXY)-9-[(ACETYLOXY)METHYL]-2,2,6A,6B,9,12A-HEXAMETHYL-13-OXO-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,12AS,12BR,14BS)-10-(ACETYLOXY)-9-[(ACETYLOXY)METHYL]-2,2,6A,6B,9,12A-HEXAMETHYL-13-OXO-3,4,5,6,7,8,8A,10,11,12,12B,14B-DODECAHYDRO-1H-PICENE-4A-CARBOXYLIC ACID
84072-24-2 [RN]

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

NSC380690 [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: 640.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 193.7±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 7987.75
ACD/KOC (pH 5.5): 10483.88
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 126.86
ACD/KOC (pH 7.4): 166.51
Polar Surface Area: 107 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 484.2±5.0 cm3

Click to predict properties on the Chemicalize site


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