(3Ar,5E,7S,10E,14E,16As)-2,7-Dihydroxy-3-[(2S)-1-Hydroxy-2-Propanyl]-6,10,14,16A-Tetramethyl-4,7,8,9,12,13,16,16A-Octahydrocyclopenta[15]Annulen-1(3Ah)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C25H38O4
IUPAC Name (1r,3e,5s,8e,12e,15s)-5,17-dihydroxy-18-[(1s)-2-hydroxy-1-methyl-ethyl]-4,8,12,15-tetramethyl-bicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
Molecular Mass 402.567 g·mol−1
Heat of Formation -792.1 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 535.76 Å 3
Surface Area 385.18 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • acon1_002207
  • terpestacin
InChIKey UTGBBPSEQPITLF-IXRUDUFRSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O