ChemSpider 2D Image | 2,3-o-Diacetylcorosolic acid | C34H52O6

2,3-o-Diacetylcorosolic acid

  • Molecular FormulaC34H52O6
  • Average mass556.773 Da
  • Monoisotopic mass556.376404 Da
  • ChemSpider ID23296201

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β)-2,3-bis(acetyloxy)urs-12-en-28-oic acid
(2α,3β)-2,3-Diacetoxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2,3-Diacetoxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
2,3-o-Diacetylcorosolic acid
57498-76-7 [RN]
Acide (2α,3β)-2,3-diacétoxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3-bis(acetyloxy)-, (2α,3β)- [ACD/Index Name]
(1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-diacetoxy-1,2,6a,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
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397155/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 181.1±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.23
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 423165.84
ACD/KOC (pH 5.5): 205156.44
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 6669.18
ACD/KOC (pH 7.4): 3233.31
Polar Surface Area: 90 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 488.9±5.0 cm3

Click to predict properties on the Chemicalize site


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