Thorectandrol A

Molecule SVG Image

Properties Simple | Detailed

Formula C25H38O3
IUPAC Name (2r)-2-[(e)-5-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-3-(hydroxymethyl)-2h-furan-5-one
Molecular Mass 386.567 g·mol−1
Heat of Formation -592.2 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 514.78 Å 3
Surface Area 410.12 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-5-[(e)-5-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-1-decalinyl]-3-methylpent-2-enyl]-4-(hydroxymethyl)-5h-furan-2-one
  • (5r)-5-[(e)-5-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-4-(hydroxymethyl)-5h-furan-2-one
  • (5r)-5-[(e)-5-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-4-methylol-5h-furan-2-one
  • (5r)-5-[(e)-5-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-methyl-pent-2-enyl]-4-(hydroxymethyl)-5h-furan-2-one
  • (5r)-5-[(e)-5-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-methylpent-2-enyl]-4-(hydroxymethyl)-5h-furan-2-one
InChIKey QQKDQHJTKIBERS-OGXBFCNVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O