$75.00
| CAS No.: | 465-21-4 |
| Molecular Formula | C₂₄H₃₄O₄ |
| Molecular Weight | 386.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Steroids |
| Weight |
|---|
IUPAC Name: 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-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]pyran-2-one
InChI: InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1
InChIKey: QEEBRPGZBVVINN-BMPKRDENSA-N
Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O
Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
Synonyms: bufalin; 465-21-4; CHEBI:517248; 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide; 3,14-Dihydroxy-bufa-20,22-dienolide; U549S98QLW; 5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one; 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide; …
Botanical Source: Bufonis Venenum
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