3-[(3β,5β,14β,17β)-3,14-Dihydroxyandrostan-17-Yl]-2(5H)-Furanone

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Properties Simple | Detailed

Formula C23H34O4
IUPAC Name 4-[(3s,5r,8r,9s,10s,13r,14s,17s)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 374.514 g·mol−1
Heat of Formation -861.3 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 460.59 Å 3
Surface Area 348.42 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 24-norchol-20(22)-en-21-oic acid, 3,14,23-trihydroxy-, gamma-lactone, (3beta,5beta,14beta)-
  • 3-[(3s,5r,8r,9s,10s,13r,14s,17s)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • actodigin genin
CAS Number(s)
  • 20902-91-4
InChIKey YQNWBNVADSNDBH-AQSYGYMCSA-N
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