ChemSpider 2D Image | (4bS,7S,8aS)-7-[(1R)-1-Hydroxy(2,3-~13~C_2_)-2-propyn-1-yl]-7-methyl-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol | C18H22O2

(4bS,7S,8aS)-7-[(1R)-1-Hydroxy(2,3-13C2)-2-propyn-1-yl]-7-methyl-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol

  • Molecular FormulaC18H22O2
  • Average mass272.351 Da
  • Monoisotopic mass272.168701 Da
  • ChemSpider ID2338791
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(4bS,7S,8aS)-7-[(1R)-1-Hydroxy(2,3-13C2)-2-propin-1-yl]-7-methyl-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol [German] [ACD/IUPAC Name]
(4bS,7S,8aS)-7-[(1R)-1-Hydroxy(2,3-13C2)-2-propyn-1-yl]-7-methyl-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol [ACD/IUPAC Name]
(4bS,7S,8aS)-7-[(1R)-1-Hydroxy(2,3-13C2)-2-propyn-1-yl]-7-méthyl-4b,5,6,7,8,8a,9,10-octahydro-2-phénanthrénol [French] [ACD/IUPAC Name]
2-Phenanthrenemethanol, α-(ethynyl-13C2)-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, (αR,2S,4aS,10aS)- [ACD/Index Name]
117144-19-1 [RN]
14,15-Setyo
2-Phenanthrenemethanol, α-(ethynyl-13-C2)-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, (2S-(2α(S*),4aα,10aβ))-
3-hydroxy-14,15-secoestra-1,3,5(10)-trien-15-yn-17-one

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

Click to predict properties on the Chemicalize site






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