ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,13alpha)-Kaur-16-en-18-oate | C20H29O2

(5β,8α,9β,10α,13α)-Kaur-16-en-18-oate

  • Molecular FormulaC20H29O2
  • Average mass301.444 Da
  • Monoisotopic mass301.217316 Da
  • ChemSpider ID28638976

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5β,8α,9β,10α,13α)-Kaur-16-en-18-oat [German] [ACD/IUPAC Name]
(5β,8α,9β,10α,13α)-Kaur-16-en-18-oate [ACD/IUPAC Name]
(5β,8α,9β,10α,13α)-Kaur-16-én-18-oate [French] [ACD/IUPAC Name]
ent-kaur-16-en-19-oate
ent-Kaur-16-en-19-oate
ent-kaurenoate
ent-kaurenoic acid

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

7141541 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of ent-kaur-16-en-19-oic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:57297

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

Density:
Boiling Point: 426.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 202.8±20.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 3362.47
ACD/KOC (pH 5.5): 6603.89
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 53.22
ACD/KOC (pH 7.4): 104.53
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

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