ChemSpider 2D Image | Triptocallic acid D | C30H48O4

Triptocallic acid D

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID24718130
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3α,22α)-3,22-Dihydroxyolean-12-en-29-oic acid [ACD/IUPAC Name]
(3α,22α)-3,22-Dihydroxyolean-12-en-29-säure [German] [ACD/IUPAC Name]
201534-09-0 [RN]
Acide (3α,22α)-3,22-dihydroxyoléan-12-én-29-oïque [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3,22-dihydroxy-, (3α,22α)- [ACD/Index Name]
Triptocallic acid D
[201534-09-0] [RN]
3α,22α-dihydroxyolean-12-en-29-oic acid
MFCD20274849
  • Miscellaneous
    • Chemical Class:

      A pentacyclic triterpenoid with formula C<smallsub>30</smallsub>H<smallsub>48</smallsub>O<smallsub>4</smallsub>, originally isolated from <ital>Tripterygium wilfordii</ital> and <ital>Tripterygium hyp oglaucum</ital>. ChEBI CHEBI:132371
      A pentacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium wilfordii and Tripterygium hyp; oglaucum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132371

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 584.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 321.1±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 18366.55
ACD/KOC (pH 5.5): 21230.03
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 288.80
ACD/KOC (pH 7.4): 333.82
Polar Surface Area: 78 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

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