(5α,7Beta,9Beta,12Beta,16α)-7,12-Dihydroxy-4,4,14-Trimethyl-16,24-Epoxy-9,19-Cyclocholane-3,24-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C27H40O5
IUPAC Name (5alpha,7beta,9beta,12beta,16alpha)-7,12-dihydroxy-4,4,14-trimethyl-16,24-epoxy-9,19-cyclocholane-3,24-dione
Molecular Mass 444.604 g·mol−1
Heat of Formation -1023.6 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 545.89 Å 3
Surface Area 399.9 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 9,19-cyclocholane-3,24-dione, 16,24-epoxy-7,12-dihydroxy-4,4,14-trimethyl-, (5.alpha.,7.beta.,9.beta.,12.beta.,16.alpha.,17.alpha.)-
  • lancifodilactone h
InChIKey VOQMBAJQSRMTML-CMXOSDEXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O