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Search term: 27026738 (Found by CSID)
ChemSpider 2D Image | hirsutalin G | C22H34O5

hirsutalin G

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID27026738

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,6R,7R,8R,9R,10S)-9-Hydroxy-6-[(2R)-1-hydroxy-2-propanyl]-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-10-yl acetate [ACD/IUPAC Name]
(1R,2R,6R,7R,8R,9R,10S)-9-Hydroxy-6-[(2R)-1-hydroxy-2-propanyl]-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-10-yl-acetat [German] [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecene-6,7-diol, 3,4,4a,5,6,7,8,11,12,12a-decahydro-4-[(1R)-2-hydroxy-1-methylethyl]-1,6,10-trimethyl-, 7-acetate, (4R,4aR,5R,6R,7S,12R,12aR)- [ACD/Index Name]
Acétate de (1R,2R,6R,7R,8R,9R,10S)-9-hydroxy-6-[(2R)-1-hydroxy-2-propanyl]-3,9,13-triméthyl-15-oxatricyclo[6.6.1.02,7]pentadéca-3,12-dién-10-yle [French] [ACD/IUPAC Name]
hirsutalin G
Hirsutalin G, (rel)-
(1R,2R,6R,7R,8R,9R,10S)-9-Hydroxy-6-[(2R)-1-hydroxy-2-propanyl]-3,9,13-trimethyl-15-oxatricyclo[6.6.1.0(2,7)]pentadeca-3,12-dien-10-yl acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 493.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 163.1±22.2 °C
Index of Refraction: 1.544
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.43
ACD/KOC (pH 5.5): 1198.85
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.43
ACD/KOC (pH 7.4): 1198.85
Polar Surface Area: 76 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 328.4±5.0 cm3

Click to predict properties on the Chemicalize site


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