Found 1 result

Search term: pre-alpha-onocerin (Found by synonym)

ChemSpider 2D Image | (2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-Dimethyl-2-oxiranyl]-4,8-dimethyl-3,7-decadien-1-yl}-1,1,4a-trimethyl-6-methylenedecahydro-2-naphthalenol | C30H50O2

(2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-Dimethyl-2-oxiranyl]-4,8-dimethyl-3,7-decadien-1-yl}-1,1,4a-trimethyl-6-methylenedecahydro-2-naphthalenol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID64808369
  • 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

(2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-Dimethyl-2-oxiranyl]-4,8-dimethyl-3,7-decadien-1-yl}-1,1,4a-trimethyl-6-methylendecahydro-2-naphthalinol [German] [ACD/IUPAC Name]
(2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-Diméthyl-2-oxiranyl]-4,8-diméthyl-3,7-décadién-1-yl}-1,1,4a-triméthyl-6-méthylènedécahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-Dimethyl-2-oxiranyl]-4,8-dimethyl-3,7-decadien-1-yl}-1,1,4a-trimethyl-6-methylenedecahydro-2-naphthalenol [ACD/IUPAC Name]
2-Naphthalenol, 5-[(3E,7E)-10-[(2S)-3,3-dimethyloxiranyl]-4,8-dimethyl-3,7-decadien-1-yl]decahydro-1,1,4a-trimethyl-6-methylene-, (2S,4aR,5S,8aR)- [ACD/Index Name]
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol
(2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-dimethyloxiran-2-yl]-4,8-dimethyldeca-3,7-dien-1-yl}-1,1,4a-trimethyl-6-methylidenedecahydronaphthalen-2-ol
polypoda-8(26),13,17-trien-21,22-epoxy-3β-ol
pre-α-onocerin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 516.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 200.2±24.4 °C
Index of Refraction: 1.519
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 8.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1268766.25
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1268766.25
Polar Surface Area: 33 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 451.5±5.0 cm3

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