$460.00
| CAS No.: | 30219-16-0 |
| Molecular Formula | C₃₂H₄₄O₉ |
| Molecular Weight | 572.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Steroids |
| Weight |
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IUPAC Name: 8-[[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoic acid
InChI: InChI=1S/C32H44O9/c1-30-15-13-21(41-26(36)8-6-4-3-5-7-24(33)34)17-20(30)10-11-23-27(30)28(37)29(38)31(2)22(14-16-32(23,31)39)19-9-12-25(35)40-18-19/h9,12,18,20-23,27-28,37,39H,3-8,10-11,13-17H2,1-2H3,(H,33,34)/t20-,21+,22-,23-,27-,28+,30+,31+,32+/m1/s1
InChIKey: LYCCSNYEMCXNRM-QCTKBPTFSA-N
Canonical SMILES: CC12CCC(CC1CCC3C2C(C(=O)C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)O
Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)O
Synonyms: Arenobufagin 3-hemisuberate; 30219-16-0; Arenobufagin3-hemisuberate; HY-N5098; AKOS040760275; FS-7174; DA-61199; CS-0032362; …
Botanical Source: Bufonis Venenum
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