ChemSpider 2D Image | (3R,4aS,4bR,6aS,10aS,10bR,12S,12aR)-2-Acetyl-4b,7,7,10a,12a-pentamethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-3,12-diyl diacetate | C29H44O5

(3R,4aS,4bR,6aS,10aS,10bR,12S,12aR)-2-Acetyl-4b,7,7,10a,12a-pentamethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-3,12-diyl diacetate

  • Molecular FormulaC29H44O5
  • Average mass472.657 Da
  • Monoisotopic mass472.318878 Da
  • ChemSpider ID35516779

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,4aS,4bR,6aS,10aS,10bR,12S,12aR)-2-Acetyl-4b,7,7,10a,12a-pentamethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-3,12-diyl-diacetat [German] [ACD/IUPAC Name]
(3R,4aS,4bR,6aS,10aS,10bR,12S,12aR)-2-Acetyl-4b,7,7,10a,12a-pentamethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-3,12-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3R,4aS,4bR,6aS,10aS,10bR,12S,12aR)-2-acétyl-4b,7,7,10a,12a-pentaméthyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadécahydrochrysène-3,12-diyle [French] [ACD/IUPAC Name]
Ethanone, 1-[(3R,4aS,4bR,6aS,10aS,10bR,12S,12aR)-3,12-bis(acetyloxy)-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-4b,7,7,10a,12a-pentamethyl-2-chrysenyl]- [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: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 220.5±30.2 °C
Index of Refraction: 1.526
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 148592.08
ACD/KOC (pH 5.5): 175263.67
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 148592.08
ACD/KOC (pH 7.4): 175263.67
Polar Surface Area: 70 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 428.4±5.0 cm3

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