ChemSpider 2D Image | (4aR,4bS,6S,6aR,10aS,10bR,12aS)-8-Acetyl-4a-(hydroxymethyl)-1,1,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl acetate | C27H42O4

(4aR,4bS,6S,6aR,10aS,10bR,12aS)-8-Acetyl-4a-(hydroxymethyl)-1,1,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl acetate

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID35517131

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bS,6S,6aR,10aS,10bR,12aS)-8-Acetyl-4a-(hydroxymethyl)-1,1,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl acetate [ACD/IUPAC Name]
(4aR,4bS,6S,6aR,10aS,10bR,12aS)-8-Acetyl-4a-(hydroxymethyl)-1,1,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl-acetat [German] [ACD/IUPAC Name]
Acétate de (4aR,4bS,6S,6aR,10aS,10bR,12aS)-8-acétyl-4a-(hydroxyméthyl)-1,1,6a,10b-tétraméthyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadécahydro-6-chrysényle [French] [ACD/IUPAC Name]
Ethanone, 1-[(4aS,4bR,6aS,10aR,10bS,12S,12aR)-12-(acetyloxy)-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-10a-(hydroxymethyl)-4b,7,7,12a-tetramethyl-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: 520.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 163.5±22.2 °C
Index of Refraction: 1.538
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18670.15
ACD/KOC (pH 5.5): 39707.64
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18670.15
ACD/KOC (pH 7.4): 39707.64
Polar Surface Area: 64 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 390.1±5.0 cm3

Click to predict properties on the Chemicalize site


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