ChemSpider 2D Image | (3beta)-13-[(2S,3S,3aR,4aS,7S,7bS)-2,7a-Dihydroxy-4a,7-dimethyloctahydrodifuro[2,3-b:2',3'-d]furan-3-yl]-10-methylgona-8,14-dien-3-yl 6-O-acetyl-2-O-beta-D-galactopyranosyl-beta-D-glucopyranoside | C42H62O17

(3β)-13-[(2S,3S,3aR,4aS,7S,7bS)-2,7a-Dihydroxy-4a,7-dimethyloctahydrodifuro[2,3-b:2',3'-d]furan-3-yl]-10-methylgona-8,14-dien-3-yl 6-O-acetyl-2-O-β-D-galactopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H62O17
  • Average mass838.932 Da
  • Monoisotopic mass838.398682 Da
  • ChemSpider ID24712844

  • defined stereocentres - 18 of 21 defined stereocentres

More details:

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

(3β)-13-[(2S,3S,3aR,4aS,7S,7bS)-2,7a-Dihydroxy-4a,7-dimethyloctahydrodifuro[2,3-b:2',3'-d]furan-3-yl]-10-methylgona-8,14-dien-3-yl 6-O-acetyl-2-O-β-D-galactopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-13-[(2S,3S,3aR,4aS,7S,7bS)-2,7a-Dihydroxy-4a,7-dimethyloctahydrodifuro[2,3-b:2',3'-d]furan-3-yl]-10-methylgona-8,14-dien-3-yl-6-O-acetyl-2-O-β-D-galactopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-2-O-β-D-galactopyranosyl-β-D-glucopyranoside de (3β)-13-[(2S,3S,3aR,4aS,7S,7bS)-2,7a-dihydroxy-4a,7-diméthyloctahydrodifuro[2,3-b:2',3'-d]furan-3-yl]-10-méthylgona-8,14-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β)-10-methyl-13-[(2S,3S,3aR,4aS,7S,7bS)-octahydro-2,7a-dihydroxy-4a,7-dimethyldifuro[2,3-b:2',3'-d]furan-3-yl]gona-8,14-dien-3-yl 2-O-β-D-galactopyranosyl-, 6-acetate [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 203.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.47
ACD/KOC (pH 5.5): 363.13
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.47
ACD/KOC (pH 7.4): 363.12
Polar Surface Area: 253 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 562.4±5.0 cm3

Click to predict properties on the Chemicalize site


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