ChemSpider 2D Image | thalianol | C30H50O

thalianol

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID21866043

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-Diméthyl-5,9-undécadién-2-yl]-3,6,6,9a-tétraméthyl-2,3,4,5,5a,6,7,8,9,9a-décahydro-1H-cyclopenta[a]naphtalén-7-ol [French] [ACD/IUPAC Name]
(3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-Dimethyl-5,9-undecadien-2-yl]-3,6,6,9a-tetramethyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-cyclopenta[a]naphthalen-7-ol [ACD/IUPAC Name]
(3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-Dimethyl-5,9-undecadien-2-yl]-3,6,6,9a-tetramethyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-cyclopenta[a]naphthalin-7-ol [German] [ACD/IUPAC Name]
1H-Benz[e]inden-7-ol, 2,3,4,5,5a,6,7,8,9,9a-decahydro-3,6,6,9a-tetramethyl-3-[(1R,4E)-1,5,9-trimethyl-4,8-decadien-1-yl]-, (3R,5aR,7S,9aS)- [ACD/Index Name]
thalianol
(13R,14R,17E)-podioda-8,17,21-trien-3&β;-ol
(13R,14R,17E)-podioda-8,17,21-trien-3β-ol
(13R,14R,17E)-podioda-8,17,21-trien-3β-ol|(3S,13S, 3R)-malabarica-8,17,21-trien-3-ol (obsolete)|(13R,14R,17E)-podioda-8,17,21-trien-3&β;-ol
(3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-cyclopenta[a]naphthalen-7-ol
(3S,13S, 3R)-malabarica-8,17,21-trien-3-ol (obsolete)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 506.4±49.0 °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: 224.4±22.1 °C
Index of Refraction: 1.522
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 10.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7067744.50
ACD/LogD (pH 7.4): 10.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7067744.50
Polar Surface Area: 20 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 442.8±5.0 cm3

Click to predict properties on the Chemicalize site


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