$296.00
| CAS No.: | 465-90-7 |
| Molecular Formula | C₂₄H₃₂O₆ |
| Molecular Weight | 416.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Steroids |
| Weight |
|---|
IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
InChI: InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1
InChIKey: TVKPTWJPKVSGJB-XHCIOXAKSA-N
Canonical SMILES: CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC(C5)O)C=O)O
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
Synonyms: Hellebrigenin; Bufotalidin; 465-90-7; 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-; Bufa-20,22-dienolide, 3,5,14-trihydroxy-19-oxo-, (3beta,5beta)-; (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; Bufa-20,22-dienolide,3,5,14-trihydroxy-19-oxo-,(3beta,5beta)-; EINECS 207-368-3; …
Botanical Source: Bufonis Venenum
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