ChemSpider 2D Image | (3aS,5aR,6S,9R,10aR)-6-(alpha-L-Arabinopyranosyloxy)-8-formyl-1-isopropyl-3a,5a-dimethyl-4-oxo-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-9-yl acetate | C27H38O9

(3aS,5aR,6S,9R,10aR)-6-(α-L-Arabinopyranosyloxy)-8-formyl-1-isopropyl-3a,5a-dimethyl-4-oxo-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-9-yl acetate

  • Molecular FormulaC27H38O9
  • Average mass506.585 Da
  • Monoisotopic mass506.251587 Da
  • ChemSpider ID28285699

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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(3aS,5aR,6S,9R,10aR)-6-(α-L-Arabinopyranosyloxy)-8-formyl-1-isopropyl-3a,5a-dimethyl-4-oxo-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-9-yl acetate [ACD/IUPAC Name]
(3aS,5aR,6S,9R,10aR)-6-(α-L-Arabinopyranosyloxy)-8-formyl-1-isopropyl-3a,5a-dimethyl-4-oxo-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-9-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3aS,5aR,6S,9R,10aR)-6-(α-L-arabinopyranosyloxy)-8-formyl-1-isopropyl-3a,5a-diméthyl-4-oxo-2,3,3a,4,5,5a,6,9,10,10a-décahydrocyclohepta[e]indén-9-yle [French] [ACD/IUPAC Name]
Cyclohept[e]indene-8-carboxaldehyde, 9-(acetyloxy)-6-(α-L-arabinopyranosyloxy)-2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)-4-oxo-, (3aS,5aR,6S,9R,10aR)- [ACD/Index Name]
erinacine R

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 214.3±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.72
ACD/KOC (pH 5.5): 586.47
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.72
ACD/KOC (pH 7.4): 586.47
Polar Surface Area: 140 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 388.1±5.0 cm3

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