(2S,4R,8S,9R,13R)-1,13-Dihydroxy-2,11-Dimethyl-7-Methylene-6-Oxo-5,14-Dioxatricyclo[9.2.1.0~4,8~]Tetradec-9-Yl 2-Methylpropanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H28O7
IUPAC Name (2s,4r,8s,9r,13r)-1,13-dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0 4,8 ]tetradec-9-yl 2-methylpropanoate
Molecular Mass 368.421 g·mol−1
Heat of Formation -1341.2 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 439.16 Å 3
Surface Area 338.32 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,6r,8s,9s,10r,11as)-8,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxododecahydro-6,9-epoxycyclodeca[b]furan-4-yl rel-2-methylpropanoate
  • 2alpha-hydroxytirotundin
  • isobutyric acid 1,13-dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxa-tricyclo[9.2.1.0^(4,8)]tetradec-9-yl ester
  • propanoic acid, 2-methyl-, (3as,4r,6s,8r,9r,10s,11ar)-dodecahydro-8,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester
InChIKey UFLGQPOBCWRADC-JWEFVCNNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O