(3Ar,4S,6Z,10Z,11Ar)-6,10-Bis(Hydroxymethyl)-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,11A-Octahydrocyclodeca[B]Furan-4-Yl 2-Methylpropanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H26O6
IUPAC Name [(3ar,4s,6z,10z,11ar)-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
Molecular Mass 350.406 g·mol−1
Heat of Formation -1004.4 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 427.27 Å 3
Surface Area 338.78 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (1e,4z)-14,15-dihydroxy-8alpha-(2-methylpropanoyloxy)germacra-1(10),4,11(13)-trieno-12,6alpha-lactone
  • 2-methylpropanoic acid [(3ar,4s,6z,10z,11ar)-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • 2-methylpropionic acid [(3ar,4s,6z,10z,11ar)-2-keto-3-methylene-6,10-dimethylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4s,6z,10z,11ar)-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
  • [(3ar,4s,6z,10z,11ar)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
  • alatolide
CAS Number(s)
  • 41929-10-6
InChIKey IAKJNLGPQQXWAV-YINPGZOOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O