(6R,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside

CAS Registry Number®

143363-62-6
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CAS Name

(6R,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside

Molecular Formula

C24H38O11

Molecular Mass

502.55

Cite this Page

(6R,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143363-62-6 (retrieved 2024-09-20) (CAS RN: 143363-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21-,22-,24-/m1/s1

InChIKey

InChIKey=DQQUPMXQGJRNAW-LCIZJANLSA-N

SMILES

C(O[C@H]1[C@H](O)[C@](CO)(O)CO1)[C@H]2O[C@@H](O[C@@H](/C=C/[C@@H]3C(C)(C)CC(=O)C=C3C)C)[C@H](O)[C@@H](O)[C@@H]2O

Canonical SMILES

O=C1C=C(C)C(C=CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C)C(C)(C)C1

Other Names for this Substance

  • 2-Cyclohexen-1-one, 4-[(1E,3R)-3-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]-3,5,5-trimethyl-, (4R)-
  • 2-Cyclohexen-1-one, 4-[(1E,3R)-3-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1-butenyl]-3,5,5-trimethyl-, (4R)-
  • (4R)-4-[(1E,3R)-3-[(6-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]-3,5,5-trimethyl-2-cyclohexen-1-one
  • (6R,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside
  • (6R,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-(β-D-apiofuranosyl-(1-> 6′)-β-D-glucopyranoside)