ChemSpider 2D Image | 16-deacetoxy-12-epi-scalarafuranacetate | C27H40O3

16-deacetoxy-12-epi-scalarafuranacetate

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID24717634
  • defined stereocentres - 7 of 7 defined stereocentres


More details:



Featured data source



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

(5aS,5bR,7aS,11aS,11bR,13S,13aS)-5b,8,8,11a,13a-Pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl acetate [ACD/IUPAC Name]
(5aS,5bR,7aS,11aS,11bR,13S,13aS)-5b,8,8,11a,13a-Pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl-acetat [German] [ACD/IUPAC Name]
16-deacetoxy-12-epi-scalarafuranacetate
Acétate de (5aS,5bR,7aS,11aS,11bR,13S,13aS)-5b,8,8,11a,13a-pentaméthyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadécahydrochryséno[1,2-c]furan-13-yle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-13-ol, 4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydro-5b,8,8,11a,13a-pentamethyl-, acetate, (5aS,5bR,7aS,11aS,11bR,13S,13aS)- [ACD/Index Name]
16-deacetyl-12-epi-scalarafuran acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 466.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 236.0±25.4 °C
Index of Refraction: 1.543
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 995860.50
ACD/KOC (pH 5.5): 684035.63
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 995860.50
ACD/KOC (pH 7.4): 684035.63
Polar Surface Area: 39 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 378.9±5.0 cm3

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