6-O-Trans-Cinnamoylphlorigidoside B

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Catalog Number ACM1246012258
CAS 1246012-25-8
IUPAC Name methyl (1S,4aR,5R,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-5-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Weight 594.6
Molecular Formula C28H34O14
Canonical SMILES CC(=O)OC1(CC(C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=CC4=CC=CC=C4)C
Inchi InChI=1S/C28H34O14/c1-14(30)42-27(2)11-18(40-19(31)10-9-15-7-5-4-6-8-15)28(36)16(24(35)37-3)13-38-26(23(27)28)41-25-22(34)21(33)20(32)17(12-29)39-25/h4-10,13,17-18,20-23,25-26,29,32-34,36H,11-12H2,1-3H3/b10-9+/t17-,18-,20-,21+,22-,23-,25+,26+,27+,28-/m1/s1
InChIKey IMFOXIVSWVZHOK-WYCHZZGMSA-N
Purity 98%
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