ChemSpider 2D Image | CIMICIFUGOSIDE H-4 | C32H48O9

CIMICIFUGOSIDE H-4

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID8183926

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,5α,9β,11β,16β,24R)-11,16,24-Trihydroxy-4,4,14-trimethyl-23-oxo-9,19:16,24-dicyclochol-7-en-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α,9β,11β,16β,24R)-11,16,24-Trihydroxy-4,4,14-trimethyl-23-oxo-9,19:16,24-dicyclochol-7-en-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
161097-79-6 [RN]
5H,10H-Cycloprop[e]indeno[2,1-a]phenanthren-10-one, 1,2,3,4,6,7,7a,7b,8,9,11,11a,12,12a,14,14a-hexadecahydro-6,11,11a-trihydroxy-1,1,7a,8,12a-pentamethyl-2-(β-D-xylopyranosyloxy)-, (2S,4aR,5aS,6S,7 aR,7bR,8R,11R,11aR,12aR,14aR)- [ACD/Index Name]
CIMICIFUGOSIDE H-4
β-D-Xylopyranoside de (3β,5α,9β,11β,16β,24R)-11,16,24-trihydroxy-4,4,14-triméthyl-23-oxo-9,19:16,24-dicyclochol-7-én-3-yle [French] [ACD/IUPAC Name]

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

T7K492IN8C [DBID]
UNII:T7K492IN8C [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 234.3±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.79
ACD/KOC (pH 5.5): 262.16
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.79
ACD/KOC (pH 7.4): 262.15
Polar Surface Area: 157 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 413.9±5.0 cm3

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