$48.00
| CAS No.: | 469-59-0 |
| Molecular Formula | C₂₇H₃₉NO₃ |
| Molecular Weight | 425.6g/mol |
| Purity | HPLC>98% |
| Chemical Family | Alkaloids |
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IUPAC Name: (3S,3’R,3’aS,6’S,6aS,6bS,7’aR,9R,11aS,11bR)-3-hydroxy-3′,6′,10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2′-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
InChI: InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
InChIKey: CLEXYFLHGFJONT-DNMILWOZSA-N
Canonical SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)NC1
Isomeric SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1
Synonyms: JERVINE; 469-59-0; Iervin; 11-Ketocyclopamine; Jerwiny [Polish]; CHEBI:6088; CHEMBL186779; (3S,3’R,3’aS,6’S,6aS,6bS,7’aR,9R,11aS,11bR)-3-hydroxy-3′,6′,10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2′-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one; …
Botanical Source: Veratrum nigrum L.
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