ChemSpider 2D Image | (3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol (non-preferre d name) | C35H58O3

(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol (non-preferre d name)

  • Molecular FormulaC35H58O3
  • Average mass526.833 Da
  • Monoisotopic mass526.438599 Da
  • ChemSpider ID24823188

  • defined stereocentres - 6 of 13 defined stereocentres

More details:

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

(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol (non-preferre d name) [ACD/IUPAC Name]
(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol (non-preferre d name) [German] [ACD/IUPAC Name]
(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexaméthyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,13a,13b-octadécahydro-1H-cyclopenta[a]chrysén-3-yl]butyl}tétrahydro-3,4-furanediol (non-preferr ed name) [French] [ACD/IUPAC Name]
3,4-Furandiol, tetrahydro-2-[3-[(5aR,5bR,11aS,13bS)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,13a,13b-octadecahydro-5a,5b,8,8,11a,13b-hexamethyl-1H-cyclopenta[a]chrysen-3-yl]butyl]-, (3S,4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 596.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 314.8±27.3 °C
Index of Refraction: 1.530
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 11.45
ACD/LogD (pH 5.5): 10.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7655761.00
ACD/LogD (pH 7.4): 10.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7655761.00
Polar Surface Area: 50 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 505.7±3.0 cm3

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