Dehydroborapetoside B

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Catalog Number ACM1221178160
CAS 1221178-16-0
IUPAC Name methyl (2S,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,9,10,10a-hexahydrobenzo[f]isochromene-7-carboxylate
Molecular Weight 550.6
Molecular Formula C27H34O12
Canonical SMILES CC12CC(OC(=O)C1=CC(C3(C2CC(C=C3C(=O)OC)O)C)OC4C(C(C(C(O4)CO)O)O)O)C5=COC=C5
Inchi InChI=1S/C27H34O12/c1-26-9-16(12-4-5-36-11-12)37-24(34)14(26)8-19(39-25-22(32)21(31)20(30)17(10-28)38-25)27(2)15(23(33)35-3)6-13(29)7-18(26)27/h4-6,8,11,13,16-22,25,28-32H,7,9-10H2,1-3H3/t13-,16-,17+,18-,19-,20+,21-,22+,25-,26+,27-/m0/s1
InChIKey CGKGCFDWGXCUDW-CGNVXPGMSA-N
Purity 98%
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