ChemSpider 2D Image | (2R,3S,4aR,7aS,10S,11R,13aR,15aS,15bR)-10-(Hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphtha lene-2,3,11-triol | C30H50O4

(2R,3S,4aR,7aS,10S,11R,13aR,15aS,15bR)-10-(Hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphtha lene-2,3,11-triol

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID29814452

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2R,3S,4aR,7aS,10S,11R,13aR,15aS,15bR)-10-(Hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphtha lene-2,3,11-triol [ACD/IUPAC Name]
(2R,3S,4aR,7aS,10S,11R,13aR,15aS,15bR)-10-(Hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphtha lin-2,3,11-triol [German] [ACD/IUPAC Name]
(2R,3S,4aR,7aS,10S,11R,13aR,15aS,15bR)-10-(Hydroxyméthyl)-4,4,7a,10,13a,15b-hexaméthyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphto[2',1':4,5]cyclohepta[1,2-a]naphtalè ne-2,3,11-triol [French] [ACD/IUPAC Name]
1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-2,3,11-triol, 2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-10-(hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-, (2R,3S,4aR,7aS,10S,11R,13a R,15aS,15bR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 238.9±24.7 °C
Index of Refraction: 1.573
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19946.21
ACD/KOC (pH 5.5): 41631.95
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19946.21
ACD/KOC (pH 7.4): 41631.95
Polar Surface Area: 81 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 414.0±5.0 cm3

Click to predict properties on the Chemicalize site


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