ChemSpider 2D Image | (5beta,7beta,8alpha,9beta,10alpha,13beta,14alpha,15S)-7,8-Dihydroxy-14,16-epoxyabietane-12,16-dione | C20H30O5

(5β,7β,8α,9β,10α,13β,14α,15S)-7,8-Dihydroxy-14,16-epoxyabietane-12,16-dione

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID21196764

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5β,7β,8α,9β,10α,13β,14α,15S)-7,8-Dihydroxy-14,16-epoxyabietan-12,16-dion [German] [ACD/IUPAC Name]
(5β,7β,8α,9β,10α,13β,14α,15S)-7,8-Dihydroxy-14,16-epoxyabietane-12,16-dione [ACD/IUPAC Name]
(5β,7β,8α,9β,10α,13β,14α,15S)-7,8-Dihydroxy-14,16-époxyabiétane-12,16-dione [French] [ACD/IUPAC Name]
Phenanthro[1,2-b]furan-2,11-dione, tetradecahydro-3b,4-dihydroxy-1,6,6,9a-tetramethyl-, (1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)- [ACD/Index Name]
7b,8a-dihydroxy-12-oxoent-abietan-16,14-olide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 506.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 176.0±23.6 °C
Index of Refraction: 1.543
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.34
ACD/KOC (pH 5.5): 390.86
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.34
ACD/KOC (pH 7.4): 390.86
Polar Surface Area: 84 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 290.6±3.0 cm3

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