Caesalpine B

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Catalog Number ACM1616757608
CAS 1616757-60-8
IUPAC Name methyl (4aR,6S,6aR,7S,11aS,11bR)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate
Molecular Weight 418.48
Molecular Formula C23H30O7
Canonical SMILES CC(=O)OC1CC2(C(CCC(=O)C2(C3C1C(C4=C(C3)OC=C4)C(=O)OC)C)(C)C)O
Inchi InChI=1S/C23H30O7/c1-12(24)30-16-11-23(27)21(2,3)8-6-17(25)22(23,4)14-10-15-13(7-9-29-15)18(19(14)16)20(26)28-5/h7,9,14,16,18-19,27H,6,8,10-11H2,1-5H3/t14-,16-,18+,19-,22-,23+/m0/s1
InChIKey WRVBJIVZZAJHJM-ANLLKEILSA-N
Purity 98%
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