ChemSpider 2D Image | (3S,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-Ethyl-3-hydroxy-3,5b,8,11a,13a-pentamethyl-1,4-dioxo-1,3,4,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl 3-hydroxypentanoate | C32H46O7

(3S,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-Ethyl-3-hydroxy-3,5b,8,11a,13a-pentamethyl-1,4-dioxo-1,3,4,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl 3-hydroxypentanoate

  • Molecular FormulaC32H46O7
  • Average mass542.703 Da
  • Monoisotopic mass542.324341 Da
  • ChemSpider ID35516758

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3S,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-Ethyl-3-hydroxy-3,5b,8,11a,13a-pentamethyl-1,4-dioxo-1,3,4,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl 3-hydroxypentanoate [ACD/IUPAC Name]
(3S,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-Ethyl-3-hydroxy-3,5b,8,11a,13a-pentamethyl-1,4-dioxo-1,3,4,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl-3-hydroxypentanoat [German] [ACD/IUPAC Name]
3-Hydroxypentanoate de (3S,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-éthyl-3-hydroxy-3,5b,8,11a,13a-pentaméthyl-1,4-dioxo-1,3,4,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadécahydrochryséno[1,2-c]furan-13-yle [French] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-, (3S,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-ethyl-1,3,4,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydro-3-hydroxy-3,5b,8,11a,13a-pentamethyl-1,4-dioxochryseno[1,2-c]furan-13-y l ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 218.6±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6226.52
ACD/KOC (pH 5.5): 18092.01
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6126.40
ACD/KOC (pH 7.4): 17801.10
Polar Surface Area: 110 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 445.1±5.0 cm3

Click to predict properties on the Chemicalize site


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