Escobedin

Molecule SVG Image

Properties Simple | Detailed

Formula C27H38O4
IUPAC Name (2e,4e,6e,8e,10e,12e,14e)-15-[(1r,2r)-1,2-dihydroxy-2,6,6-trimethyl-cyclohexyl]-4,9,13-trimethyl-pentadeca-2,4,6,8,10,12,14-heptaenoic acid
Molecular Mass 426.588 g·mol−1
Heat of Formation -634.6 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 561.18 Å 3
Surface Area 496.13 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e,14e)-15-[(1r,2r)-1,2-dihydroxy-2,6,6-trimethyl-cyclohexyl]-4,9,13-trimethyl-pentadeca-2,4,6,8,10,12,14-heptaenoic acid
  • (2e,4e,6e,8e,10e,12e,14e)-15-[(1r,2r)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenoic acid
CAS Number(s)
  • 507-61-9
InChIKey NYWCITDWPAZNBU-DYISAODMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O