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ChemSpider 2D Image | (6aR,10aS)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one | C24H36O3

(6aR,10aS)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one

  • Molecular FormulaC24H36O3
  • Average mass372.541 Da
  • Monoisotopic mass372.266449 Da
  • ChemSpider ID32815026
  • defined stereocentres - 2 of 2 defined stereocentres


More details:





Date of deprecation: 10:12, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(6aR,10aS)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-on [German] [ACD/IUPAC Name]
(6aR,10aS)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one [ACD/IUPAC Name]
(6aR,10aS)-1-Hydroxy-6,6-diméthyl-3-(2-méthyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromén-9-one [French] [ACD/IUPAC Name]
9H-Dibenzo[b,d]pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aS)- [ACD/Index Name]
(6aR,10aS)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one
112695-98-4 [RN]
112898-19-8 [RN]
56469-15-9 [RN]
MFCD25974280

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 457.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.5±3.0 kJ/mol
    Flash Point: 145.4±22.2 °C
    Index of Refraction: 1.517
    Molar Refractivity: 109.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 7.05
    ACD/LogD (pH 5.5): 7.20
    ACD/BCF (pH 5.5): 175300.05
    ACD/KOC (pH 5.5): 197272.84
    ACD/LogD (pH 7.4): 7.20
    ACD/BCF (pH 7.4): 174369.23
    ACD/KOC (pH 7.4): 196225.36
    Polar Surface Area: 47 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 361.8±3.0 cm3

    Click to predict properties on the Chemicalize site






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