Sandorinic Acid B

Molecule SVG Image

Properties Simple | Detailed

Formula C30H46O5
IUPAC Name (2r,4as,6ar,6ar,8ar,12ar,14r,14as,14bs)-14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,6a,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid
Molecular Mass 486.683 g·mol−1
Heat of Formation -1177.3 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 595.48 Å 3
Surface Area 423.7 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,6ar,6ar,8ar,12ar,14r,14as,14bs)-14,14b-dihydroxy-10-keto-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,6a,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid
  • (2r,4as,6ar,6ar,8ar,12ar,14r,14as,14bs)-14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,6a,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid
InChIKey ZOJYWIDATCZFTE-GLLUEPBVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O