Found 4 results

Search term: IDZDIJBVDDHIIM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,5bR,11aS,13R,13aS,13bS)-1-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-13-yl acetate | C27H42O4

(1R,5bR,11aS,13R,13aS,13bS)-1-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-13-yl acetate

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID23278001

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(1R,5bR,11aS,13R,13aS,13bS)-1-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-13-yl acetate [ACD/IUPAC Name]
(1R,5bR,11aS,13R,13aS,13bS)-1-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-13-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,5bR,11aS,13R,13aS,13bS)-1-hydroxy-5b,8,8,11a,13a-pentaméthyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadécahydrochryséno[1,2-c]furan-13-yle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-1,13-diol, 1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-, 13-acetate, (1R,5bR,11aS,13R,13aS,13bS)- [ACD/Index Name]
(1R,5bR,11aS,13R,13aS,13bS)-1-hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[2,1-c]furan-13-yl acetate
CHEMBL413656
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL413656/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 513.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 162.0±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41503.66
ACD/KOC (pH 5.5): 70341.07
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41503.43
ACD/KOC (pH 7.4): 70340.69
Polar Surface Area: 56 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 381.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement