ChemSpider 2D Image | (9E)-4,7,8-Trihydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyloxacyclododec-9-en-2-one | C29H48O7

(9E)-4,7,8-Trihydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyloxacyclododec-9-en-2-one

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID9629848
  • Double-bond stereo - Double-bond stereo


More details:






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

(9E)-4,7,8-Trihydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyloxacyclododec-9-en-2-on [German] [ACD/IUPAC Name]
(9E)-4,7,8-Trihydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyloxacyclododec-9-en-2-one [ACD/IUPAC Name]
(9E)-4,7,8-Trihydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-méthyl-2,4-heptadién-2-yl}-3,7,11-triméthyloxacyclododéc-9-én-2-one [French] [ACD/IUPAC Name]
Oxacyclododec-9-en-2-one, 4,7,8-trihydroxy-12-[(1E,3E)-6-[3-(2-hydroxy-1-methylbutyl)oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-3,7,11-trimethyl-, (9E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 209.4±25.0 °C
Index of Refraction: 1.517
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 615.54
ACD/KOC (pH 5.5): 3452.66
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 615.54
ACD/KOC (pH 7.4): 3452.66
Polar Surface Area: 120 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 467.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement