(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6,7-dihydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylic acid

CAS Registry Number®

220271-93-2

CAS Name

(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6,7-dihydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylic acid

Molecular Formula

C25H30O13

Molecular Mass

538.50

Cite this Page

(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6,7-dihydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=220271-93-2 (retrieved 2024-11-24) (CAS RN: 220271-93-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+/t13-,15-,16+,18-,19-,20+,21-,23+,24+,25+/m1/s1

InChIKey

InChIKey=QCPZTWAULZJVIK-YGPPJHJASA-N

SMILES

C(O)(=O)C=1[C@@]2([C@]([C@H](O[C@@H]3O[C@H](COC(/C=C/C4=CC=C(O)C=C4)=O)[C@@H](O)[C@H](O)[C@H]3O)OC1)([C@@](C)(O)[C@@H](O)C2)[H])[H]

Canonical SMILES

O=C(O)C1=COC(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C4C1CC(O)C4(O)C

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,6S,7R,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,6S,7R,7aS)-
  • (1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6,7-dihydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylic acid
  • Lippioside I

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