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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
3,5-Dihydroxy-4-(3-(4-hydroxyphenyl)propanoyl)phenyl 2-O-(6-deoxy-alpha-dmannopyranosyl)-beta-D-gulopyranoside
Synonyms
Names:
Identifier:
PubChem
9894584

CAS information

CAS number:
18916-17-1

Molecular and structural information

Molecular formula:
C27H34O14
Molecular weight:
582.55
SMILES notation:
Oc1ccc(cc1)CCC(=O)c2c(O)cc(cc2O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O
InChl:
InChI=1S/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3/t11-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Structural formula:
Chemical structure