Acetoxolone

Molecule SVG Image

Properties Simple | Detailed

Formula C32H48O5
IUPAC Name (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
Molecular Mass 512.721 g·mol−1
Heat of Formation -1197.8 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 643.81 Å 3
Surface Area 469.6 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-acetoxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
  • (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
  • (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
  • (3-beta,20-beta)-3-(acetyloxy)-11-oxo-olean-12-en-29-oic acid
  • (3beta,20beta)-3-acetoxy-11-oxoolean-12-en-29-oic acid
  • 3-acetyl-18-beta-glycyrrhetinic acid
  • acetylglycyrrhetic acid
  • acetylglycyrrhetinic acid
  • glycyrrhetinic acid acetate
  • glycyrrhetinyl acetate
  • olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, (3-beta,20-beta)-
  • olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, acetate (7ci,8ci)
InChIKey FTQDJVZNPJRVPG-XWEVEMRCSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O