(2Z,4R,8R,9R,11R)-2-(Hydroxymethyl)-11-Methyl-7-Methylene-6,12-Dioxo-5,14-Dioxatricyclo[9.2.1.0~4,8~]Tetradeca-1(13),2-Dien-9-Yl (2Z)-2-Methyl-2-Butenoate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22O7
IUPAC Name [(2z,4r,8r,9r,11r)-2-(hydroxymethyl)-11-methyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (z)-2-methylbut-2-enoate
Molecular Mass 374.384 g·mol−1
Heat of Formation -1011.6 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 436.1 Å 3
Surface Area 347.14 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4r*(z),6r*,10z,11ar))-
  • budlein a
CAS Number(s)
  • 59481-48-0
InChIKey BMVJFNLJSZHNNS-ZXRHVTAXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O