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

CAS Registry Number®

220271-94-3
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CAS Name

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

Molecular Formula

C25H30O14

Molecular Mass

554.50

Cite this Page

(1S,4aS,6S,7R,7aS)-1-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-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=220271-94-3 (retrieved 2024-09-19) (CAS RN: 220271-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+/t11-,15-,16+,18-,19-,20+,21-,23+,24+,25+/m1/s1

InChIKey

InChIKey=YHZBVXGYEGLXCQ-DRCWLHLNSA-N

SMILES

C(O)(=O)C=1[C@@]2([C@]([C@H](O[C@@H]3O[C@H](COC(/C=C/C4=CC(O)=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(O)=C3)C(O)C(O)C2O)C4C1CC(O)C4(O)C

Other Names for this Substance

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