(6α,7Beta)-7-Methoxyabieta-8,11,13-Triene-6,11,12-Triol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H32O4
IUPAC Name (4bs,8as,9r,10r)-2-isopropyl-10-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4,9-triol
Molecular Mass 348.476 g·mol−1
Heat of Formation -840.1 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 435.96 Å 3
Surface Area 349.7 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (4bs,8as,9r,10r)-10-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4,9-triol
  • (4bs,8as,9r,10r)-2-isopropyl-10-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4,9-triol
InChIKey NAFCRWTYYJXRIX-YOUFYPILSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O