ChemSpider 2D Image | (6aR,8S,9S,10aR)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)(8,9-~3~H_2_)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol | C25H38T2O3

(6aR,8S,9S,10aR)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)(8,9-3H2)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC25H38T2O3
  • Average mass392.599 Da
  • Monoisotopic mass392.314209 Da
  • ChemSpider ID2339369

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6aR,8S,9S,10aR)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)(8,9-3H2)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,8S,9S,10aR)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)(8,9-3H2)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,8S,9S,10aR)-9-(Hydroxyméthyl)-6,6-diméthyl-3-(2-méthyl-2-octanyl)(8,9-3H2)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-8,9-t2-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,8S,9S,10aR)- [ACD/Index Name]
(3H)HU 243
140835-18-3 [RN]
6H-Dibenzo(b,d)pyran-8-t-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-diemthyl-, (6aR-(6aα,8β,9α,10aβ))-

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

HU 243 [DBID]

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

Density:
Boiling Point: 472.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.4±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 449624.19
ACD/KOC (pH 5.5): 387147.38
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 447985.25
ACD/KOC (pH 7.4): 385736.16
Polar Surface Area: 50 Å2
Polarizability:
Surface Tension:
Molar Volume:

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