ChemSpider 2D Image | ophiobolin F | C25H42O

ophiobolin F

  • Molecular FormulaC25H42O
  • Average mass358.600 Da
  • Monoisotopic mass358.323578 Da
  • ChemSpider ID30652103
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1R,3aS,6aS,7R,9aR,10aS)-7-[(1S)-1,5-Dimethyl-4-hexen-1-yl]-1,2,3,3a,6,6a,7,8,9,9a,10,10a-dodecahydro-1,4,9a-trimethyldicyclopenta[a,d]cycloocten-1-ol
(7Z)-Ophiobola-7,19-dien-3-ol [German] [ACD/IUPAC Name]
(7Z)-Ophiobola-7,19-dien-3-ol [ACD/IUPAC Name]
(7Z)-Ophiobola-7,19-dién-3-ol [French] [ACD/IUPAC Name]
20098-89-9 [RN]
Dicyclopenta[a,d]cycloocten-1-ol, 7-[(1S)-1,5-dimethyl-4-hexen-1-yl]-1,2,3,3a,6,6a,7,8,9,9a,10,10a-dodecahydro-1,4,9a-trimethyl-, (1R,3aS,4Z,6aS,7R,9aR,10aS)- [ACD/Index Name]
ophiobolin F
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78293
Ophiobolene
PUBCHEM_46173837

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

Density: 0.9±0.1 g/cm3
Boiling Point: 444.3±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 194.9±15.1 °C
Index of Refraction: 1.505
Molar Refractivity: 112.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 769594.50
ACD/LogD (pH 7.4): 8.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 769594.50
Polar Surface Area: 20 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 379.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement