3-Hydroxy-19-Norchola-1,3,5(10)-Trien-24-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C23H32O3
IUPAC Name (4r)-4-[(8s,9s,13r,14s,17r)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 356.498 g·mol−1
Heat of Formation -698.8 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 455.66 Å 3
Surface Area 368.13 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(8s,9s,13r,14s,17r)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (4r)-4-[(8s,9s,13r,14s,17r)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]valeric acid
  • 3-hydroxy-19-nor-1,3,5(10)-cholatrien-24-oic acid
CAS Number(s)
  • 100772-18-7
InChIKey XMOYAJSUUCZZLU-XLAFRRDFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O