| CAS | 39844-86-5 |
| Synonyms | Bufa-20,22-dienolide, 3,14,19-trihydroxy-, (3β,5β)- |
| IUPAC Name | 5-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one |
| Molecular Weight | 402.53 |
| Molecular Formula | C24H34O5 |
| Canonical SMILES | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@H]5[C@@]3(CC[C@@H](C5)O)CO |
| InChI | InChI=1S/C24H34O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,13,16-20,25-26,28H,3-4,6-12,14H2,1H3/t16-,17+,18-,19+,20-,22-,23-,24+/m1/s1 |
| InChI Key | AXTYMYOHGWVSQN-KLAFWMLLSA-N |
| Purity | 98% |
| Appearance | Solid |
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