ChemSpider 2D Image | (1S,4S,7S,9beta,23S)-7,23-Dimethoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl beta-D-glucopyranoside | C38H64O8

(1S,4S,7S,9β,23S)-7,23-Dimethoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl β-D-glucopyranoside

  • Molecular FormulaC38H64O8
  • Average mass648.910 Da
  • Monoisotopic mass648.460144 Da
  • ChemSpider ID23311383

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S,4S,7S,9β,23S)-7,23-Dimethoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4S,7S,9β,23S)-7,23-Dimethoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,4S,7S,9β,23S)-7,23-diméthoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-dién-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,7β,9β,10α,17β)-7-methoxy-17-[(1R,3S)-3-methoxy-1,5-dimethyl-4-hexen-1-yl]-4,4,9,14-tetramethylestr-5-en-3-yl [ACD/Index Name]
karaviloside I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 28009.92
ACD/KOC (pH 5.5): 53084.82
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 28009.74
ACD/KOC (pH 7.4): 53084.47
Polar Surface Area: 118 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 562.0±5.0 cm3

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