$135.00
| CAS No.: | 4099-30-3 |
| Molecular Formula | C₂₄H₃₂O₆ |
| Molecular Weight | 416.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Steroids |
| Weight |
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IUPAC Name: 5-[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
InChI: InChI=1S/C24H32O6/c1-21-8-5-14(25)11-23(21,28)10-7-16-15(21)6-9-22(2)18(13-3-4-17(26)29-12-13)19(27)20-24(16,22)30-20/h3-4,12,14-16,18-20,25,27-28H,5-11H2,1-2H3/t14-,15-,16+,18-,19+,20+,21+,22+,23-,24+/m0/s1
InChIKey: FRYICJTUIXEEGK-NNWVIVGYSA-N
Canonical SMILES: CC12CCC(CC1(CCC3C2CCC4(C35C(O5)C(C4C6=COC(=O)C=C6)O)C)O)O
Isomeric SMILES: C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)O)C)O)O
Synonyms: Desacetylcinobufotalin; 4099-30-3; De-O-acetylcinobufotalin; CHEMBL465444; HY-N0882; MFCD01740817; AKOS030526807; CS-3700; …
Botanical Source: Bufonis Venenum
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