Found 57 results

Search term: MF = 'C_{37}H_{58}O_{11}'
ChemSpider 2D Image | Cimiracemoside E | C37H58O11

Cimiracemoside E

  • Molecular FormulaC37H58O11
  • Average mass678.850 Da
  • Monoisotopic mass678.397888 Da
  • ChemSpider ID52085883

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β,9β,16β,23R,24S)-21,25-Dihydroxy-15-oxo-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate [ACD/IUPAC Name]
(3β,9β,16β,23R,24S)-21,25-Dihydroxy-15-oxo-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl-acetat [German] [ACD/IUPAC Name]
290821-40-8 [RN]
9,19-Cyclolanostan-15-one, 24-(acetyloxy)-16,23-epoxy-21,25-dihydroxy-3-(β-D-xylopyranosyloxy)-, (3β,9β,16β,23R,24S)- [ACD/Index Name]
Acétate de (3β,9β,16β,23R,24S)-21,25-dihydroxy-15-oxo-3-(β-D-xylopyranosyloxy)-16,23-époxy-9,19-cyclolanostan-24-yle [French] [ACD/IUPAC Name]
Cimiracemoside E

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

M5H3G60RPD [DBID]
UNII:M5H3G60RPD [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 807.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 245.7±27.8 °C
Index of Refraction: 1.592
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.75
ACD/KOC (pH 5.5): 1004.94
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.75
ACD/KOC (pH 7.4): 1004.93
Polar Surface Area: 172 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 513.5±5.0 cm3

Click to predict properties on the Chemicalize site


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