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Olean-12-ene-3,11-dione

  • Name Olean-12-ene-3,11-dione
  • EINECSN/A
  • CAS No. 2935-32-2
  • Density1.05 g/cm3
  • PSA34.14000
  • LogP7.55610
  • SolubilityN/A
  • Melting Point228-231 °C
  • FormulaC30H46O2
  • Boiling Point521.9 °C at 760 mmHg
  • Molecular Weight438.694
  • Flash Point192.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 2935-32-2 (18BETA(H)-OLEAN-12-ENE-3,11-DIONE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

Olean-12-ene-3,11-dione Specification

The Olean-12-ene-3,11-dione, with the CAS registry number 2935-32-2, is also known as 3,11-dioxo-β-amyrene. This chemical's molecular formula is C30H46O2 and molecular weight is 438.68. Its systematic name is called olean-12-ene-3,11-dione.

Physical properties of Olean-12-ene-3,11-dione: (1)ACD/LogP: 8.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.37; (4)ACD/LogD (pH 7.4): 8.37; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 852060.56; (8)ACD/KOC (pH 7.4): 852060.56; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.539; (11)Molar Refractivity: 130.64 cm3; (12)Molar Volume: 416.5 cm3; (13)Surface Tension: 40.3 dyne/cm; (14)Density: 1.05 g/cm3; (15)Flash Point: 192.3 °C; (16)Enthalpy of Vaporization: 79.52 kJ/mol; (17)Boiling Point: 521.9 °C at 760 mmHg; (18)Vapour Pressure: 5.45E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@]12CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]1CC(CC2)(C)C)C
(2)InChI: InChI=1/C30H46O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22,24H,9-16,18H2,1-8H3/t20-,22-,24+,27+,28-,29+,30+/m0/s1
(3)InChIKey: XQIVDOSRZQSWFL-QKMNFNRLBQ

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