Found 8 results

Search term: MF = 'C_{41}H_{52}O_{10}'
ChemSpider 2D Image | (1alpha,3alpha,5alpha,7alpha,13alpha,17alpha,20S)-1,7-Diacetoxy-4,4,8-trimethyl-16,23,24-trioxo-21,25-epoxycholest-14-en-3-yl benzoate | C41H52O10

(1α,3α,5α,7α,13α,17α,20S)-1,7-Diacetoxy-4,4,8-trimethyl-16,23,24-trioxo-21,25-epoxycholest-14-en-3-yl benzoate

  • Molecular FormulaC41H52O10
  • Average mass704.846 Da
  • Monoisotopic mass704.356018 Da
  • ChemSpider ID23339246

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1α,3α,5α,7α,13α,17α,20S)-1,7-Diacetoxy-4,4,8-trimethyl-16,23,24-trioxo-21,25-epoxycholest-14-en-3-yl benzoate [ACD/IUPAC Name]
(1α,3α,5α,7α,13α,17α,20S)-1,7-Diacetoxy-4,4,8-trimethyl-16,23,24-trioxo-21,25-epoxycholest-14-en-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (1α,3α,5α,7α,13α,17α,20S)-1,7-diacétoxy-4,4,8-triméthyl-16,23,24-trioxo-21,25-époxycholest-14-én-3-yle [French] [ACD/IUPAC Name]
Cholest-14-ene-16,23,24-trione, 1,7-bis(acetyloxy)-3-(benzoyloxy)-21,25-epoxy-4,4,8-trimethyl-, (1α,3α,5α,7α,13α,17α,20S)- [ACD/Index Name]
16,23,24-triketomelianin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL412738/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 298.2±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 185.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30548.08
ACD/KOC (pH 5.5): 56485.37
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30548.08
ACD/KOC (pH 7.4): 56485.37
Polar Surface Area: 139 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 567.6±5.0 cm3

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