ChemSpider 2D Image | (3beta,6alpha,12beta,24S)-Dammar-25-ene-3,6,12,20,22,24-hexol | C30H52O6

(3β,6α,12β,24S)-Dammar-25-ene-3,6,12,20,22,24-hexol

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID28532961

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3β,6α,12β,24S)-Dammar-25-en-3,6,12,20,22,24-hexol [German] [ACD/IUPAC Name]
(3β,6α,12β,24S)-Dammar-25-ene-3,6,12,20,22,24-hexol [ACD/IUPAC Name]
(3β,6α,12β,24S)-Dammar-25-ène-3,6,12,20,22,24-hexol [French] [ACD/IUPAC Name]
20(R),22(ξ),24(S)-dammar-25(26)-ene-3β,6α,12β,20,22,24-hexanol
Dammar-25-ene-3,6,12,20,22,24-hexol, (3β,6α,12β,24S)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A tetracyclic triterpenoid that is dammarane with an exocyclic double bond at C-25 and substituent hydroxy groups at positions 3, 6, 12, 20, 22 and 24 (the 3<stereo>beta</stereo>,6<stereo>alpha</ster eo>,12<stereo>beta</stereo>,24<stereo>S</stereo> stereoisomer). It is isolated from the leaves of <ital>Panax ginseng</ital> and exhibits cytotoxicity in the human hepatoma cell line, HepG2. ChEBI CHEBI:65722
      A tetracyclic triterpenoid that is dammarane with an exocyclic double bond at C-25 and substituent hydroxy groups at positions 3, 6, 12, 20, 22 and 24 (the 3beta,6alpha,12beta,24S stereoisomer). It i s isolated from the leaves of Panax ginseng and exhibits cytotoxicity in the human hepatoma cell line, HepG2. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65722, CHEBI:65722

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 269.8±26.1 °C
Index of Refraction: 1.557
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.85
ACD/KOC (pH 5.5): 918.88
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.85
ACD/KOC (pH 7.4): 918.88
Polar Surface Area: 121 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 438.7±3.0 cm3

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