ChemSpider 2D Image | (3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-4-(Hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]na phthalene-3,11-diol | C30H50O3

(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-4-(Hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]na phthalene-3,11-diol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID28424526

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-4-(Hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]na phthalene-3,11-diol [ACD/IUPAC Name]
(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-4-(Hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]na phthalin-3,11-diol [German] [ACD/IUPAC Name]
(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-4-(Hydroxyméthyl)-4,6a,10,10,13a,15b-hexaméthyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphto[2',1':4,5]cyclohepta[1,2-a]nap htalène-3,11-diol [French] [ACD/IUPAC Name]
13956-52-0 [RN]
1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-, (3S,4S,4aR,6aS,9aR,11S,13aR,1 3bS,15aS,15bR)- [ACD/Index Name]
[13956-52-0] [RN]
1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-, (3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-
MFCD20260791
Serratriol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 232.0±24.7 °C
Index of Refraction: 1.562
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 134137.63
ACD/KOC (pH 5.5): 162883.95
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 134137.63
ACD/KOC (pH 7.4): 162883.95
Polar Surface Area: 61 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 416.2±5.0 cm3

Click to predict properties on the Chemicalize site


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