10-O-Coumaroyl-10-O-Deacetylasperuloside

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Catalog Number ACM903519824
CAS 903519-82-4
IUPAC Name [(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight 518.47
Molecular Formula C25H26O12
Canonical SMILES C1=CC(=CC=C1C=CC(=O)OCC2=CC3C4C2C(OC=C4C(=O)O3)OC5C(C(C(C(O5)CO)O)O)O)O
Inchi InChI=1S/C25H26O12/c26-8-16-20(29)21(30)22(31)25(36-16)37-24-18-12(7-15-19(18)14(10-34-24)23(32)35-15)9-33-17(28)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-27,29-31H,8-9H2/b6-3+/t15-,16+,18+,19-,20+,21-,22+,24-,25-/m0/s1
InChIKey JXFDBOBLMXBLDZ-ULUBWVSDSA-N
Purity 98%
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