ChemSpider 2D Image | hirsutalin H | C26H42O7

hirsutalin H

  • Molecular FormulaC26H42O7
  • Average mass466.608 Da
  • Monoisotopic mass466.293060 Da
  • ChemSpider ID26381384

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,6R,7R,8R,9R,12S,13S)-6-[(2R)-1-Acetoxy-2-propanyl]-12,13-dihydroxy-9,13-dimethyl-3-methylen-15-oxatricyclo[6.6.1.02,7]pentadec-9-ylbutyrat [German] [ACD/IUPAC Name]
(1R,2R,6R,7R,8R,9R,12S,13S)-6-[(2R)-1-Acetoxy-2-propanyl]-12,13-dihydroxy-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-9-yl butyrate [ACD/IUPAC Name]
Butanoic acid, (4R,4aR,5R,6R,9S,10S,12R,12aR)-4-[(1R)-2-(acetyloxy)-1-methylethyl]tetradecahydro-9,10-dihydroxy-6,10-dimethyl-1-methylene-5,12-epoxybenzocyclodecen-6-yl ester [ACD/Index Name]
Butyrate de (1R,2R,6R,7R,8R,9R,12S,13S)-6-[(2R)-1-acétoxy-2-propanyl]-12,13-dihydroxy-9,13-diméthyl-3-méthylène-15-oxatricyclo[6.6.1.02,7]pentadéc-9-yle [French] [ACD/IUPAC Name]
hirsutalin H
Hirsutalin H, (rel)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 171.1±23.6 °C
Index of Refraction: 1.526
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 917.52
ACD/KOC (pH 5.5): 4594.54
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 917.52
ACD/KOC (pH 7.4): 4594.54
Polar Surface Area: 102 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 405.0±5.0 cm3

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