(1S,2S,5R,6R,10S,13R,14R,16S)-6-(3-Furyl)-16-(2-Methoxy-2-Oxoethyl)-1,5,15,15-Tetramethyl-8,17-Dioxo-7-Oxatetracyclo[11.3.1.0~2,11~.0~5,10~]Heptadec-11-En-14-Yl 2-Methylpropanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H40O8
IUPAC Name (1s,2s,5r,6r,10s,13r,14r,16s)-6-(3-furyl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0 2,11 .0 5,10 ]heptadec-11-en-14-yl 2-methylpropanoate
Molecular Mass 540.644 g·mol−1
Heat of Formation -1420.9 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 649.32 Å 3
Surface Area 478.77 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
Synonyms
  • 7,11-methano-2h-cycloocta(f)(2)benzopyran-8-acetic acid, 4-(3-furanyl)-1,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, methyl ester, (4alpha,4aalpha,6aalpha,7alpha,8alpha,10beta,11alpha,12balpha)-
  • methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate
  • mioe
CAS Number(s)
  • 28057-72-9
InChIKey QBQQKHZEHKZMJF-NXUSYKNTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O