ChemSpider 2D Image | 9-Hydroxydarutigenol | C20H34O4

9-Hydroxydarutigenol

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID28424378
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S,4aS,4bR,7R,8aR)-2-[(1R)-1,2-Dihydroxyethyl]-3,4,4b,5,6,7,8,8a,9,10-decahydro-2,4b,8,8-tetramethyl-4a,7(2H)-phenanthrenediol
(3α,5β,9β,10α,13α,15R)-Pimar-8(14)-en-3,9,15,16-tetrol [German] [ACD/IUPAC Name]
(3α,5β,9β,10α,13α,15R)-Pimar-8(14)-ene-3,9,15,16-tetrol [ACD/IUPAC Name]
(3α,5β,9β,10α,13α,15R)-Pimar-8(14)-ène-3,9,15,16-tétrol [French] [ACD/IUPAC Name]
1188282-00-9 [RN]
2,4b(1H)-Phenanthrenediol, 7-[(1R)-1,2-dihydroxyethyl]-2,3,4,4a,5,6,7,9,10,10a-decahydro-1,1,4a,7-tetramethyl-, (2R,4aR,4bS,7S,10aR)- [ACD/Index Name]
9-Hydroxydarutigenol
9β-Hydroxydarutigenol
9β-Hydroxydarutigenol
MFCD20260572 [MDL number]

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

ALB-RS-0302 ALB Technology [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.6±6.0 kJ/mol
Flash Point: 229.0±24.7 °C
Index of Refraction: 1.570
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.58
ACD/KOC (pH 5.5): 402.61
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.58
ACD/KOC (pH 7.4): 402.61
Polar Surface Area: 81 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 287.4±5.0 cm3

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