ChemSpider 2D Image | (1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-13-Hydroxy-5a,5b,8,8,11a,13a-hexamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate | C30H46O6

(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-13-Hydroxy-5a,5b,8,8,11a,13a-hexamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID65771

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-13-Hydroxy-5a,5b,8,8,11a,13a-hexamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate [ACD/IUPAC Name]
(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-13-Hydroxy-5a,5b,8,8,11a,13a-hexamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl-diacetat [German] [ACD/IUPAC Name]
Acetic acid, (1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetoxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-2-oxa-cyclopenta[a]chrysen-4-yl ester
Chryseno[1,2-c]furan-1,4,13-triol, 1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5a,5b,8,8,11a,13a-hexamethyl-, 1,4-diacetate, (1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)- [ACD/Index Name]
Diacétate de (1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-13-hydroxy-5a,5b,8,8,11a,13a-hexaméthyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadécahydrochryséno[1,2-c]furane-1,4-diyle [French] [ACD/IUPAC Name]
62008-04-2 [RN]
HETERONEMIN

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

AIDS023792 [DBID]
AIDS-023792 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 171.5±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 37820.55
ACD/KOC (pH 5.5): 65814.45
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 37820.55
ACD/KOC (pH 7.4): 65814.45
Polar Surface Area: 82 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 433.2±5.0 cm3

Click to predict properties on the Chemicalize site


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