Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

CAS Registry Number®

1246012-25-8

CAS Name

Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

Molecular Formula

C28H34O14

Molecular Mass

594.56

Cite this Page

Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1246012-25-8 (retrieved 2024-11-22) (CAS RN: 1246012-25-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=IMFOXIVSWVZHOK-WYCHZZGMSA-N

SMILES

O[C@@]12[C@@]([C@](OC(C)=O)(C)C[C@H]1OC(/C=C/C3=CC=CC=C3)=O)([C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C2C(OC)=O)[H]

Canonical SMILES

O=C(OC1CC(OC(=O)C)(C)C2C(OC=C(C(=O)OC)C12O)OC3OC(CO)C(O)C(O)C3O)C=CC=4C=CC=CC4

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aR,5R,7S,7aS)-
  • Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate
  • 6-O-trans-Cinnamoylphlorigidoside B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration