3,5,12,14,19-Pentahydroxycard-20(22)-enolide
3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: al-Dihydroantiarigenin [German], BRN 0059366, 3,5,12,14,19-Pentahydroxycard-20(22)-enolide, 3-beta,5,12-beta,14,19-Pentahydroxy-5-beta-card-20(22)-enolide, 5beta-Card-20(22)-enolide, 3beta,5,12beta,14,19-pentahydroxy-, (8xi,9xi)-3beta,5,12beta,14,19-Pentahydroxy-5beta-card-20(22)-enolide, 5-beta-CARD-20(22)ENOLIDE, 3-beta,5,12-beta,14,19-PENTAHYDROXY-, Card-20(22)-enolide, 3,5,12,14,19-pentahydroxy-, (3beta,5beta,12beta)-, 3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C23H34O7 |
|---|---|
| Molecular Weight | 422.23044 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 127.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.23044 |
| Heavy Atoms | 30 |
| Complexity | 781 |
Chemical Identifiers
| CAS Number | 1926-68-7 |
|---|---|
| SMILES | C[C@@]12[C@H](CC[C@@]1(C3CC[C@@]4(C[C@H](CC[C@@]4(C3C[C@H]2O)CO)O)O)O)C5=CC(=O)OC5 |
Product Overview
3,5,12,14,19-Pentahydroxycard-20(22)-enolide (CAS 1926-68-7), with molecular formula C23H34O7 and molecular weight 422.23044 g/mol. IUPAC: 3-[(3S,5S,10R,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
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