Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | Orthosiphol V | C31H40O10

Orthosiphol V

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID9127167

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,2α,3α,7α,11α,13α)-3,7-Diacetoxy-2,8,11-trihydroxy-14-oxopimar-15-en-1-yl benzoate [ACD/IUPAC Name]
(1α,2α,3α,7α,11α,13α)-3,7-Diacetoxy-2,8,11-trihydroxy-14-oxopimar-15-en-1-yl-benzoat [German] [ACD/IUPAC Name]
1(2H)-Phenanthrenone, 7,10-bis(acetyloxy)-5-(benzoyloxy)-2-ethenyldodecahydro-4,6,10a-trihydroxy-2,4b,8,8-tetramethyl-, (2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)- [ACD/Index Name]
Benzoate de (1α,2α,3α,7α,11α,13α)-3,7-diacétoxy-2,8,11-trihydroxy-14-oxopimar-15-én-1-yle [French] [ACD/IUPAC Name]
Orthosiphol V
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450248/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 213.4±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.18
ACD/KOC (pH 5.5): 2060.07
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.13
ACD/KOC (pH 7.4): 2059.71
Polar Surface Area: 157 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

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