(4S)-4-[(3R)-3-[(6-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]butyl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

CAS Registry Number®

177261-70-0

CAS Name

(4S)-4-[(3R)-3-[(6-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]butyl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

Molecular Formula

C24H40O12

Molecular Mass

520.57

Cite this Page

(4S)-4-[(3R)-3-[(6-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]butyl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=177261-70-0 (retrieved 2025-01-07) (CAS RN: 177261-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13,15-21,25,27-32H,5-6,8-11H2,1-4H3/t13-,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1

InChIKey

InChIKey=VXZUZURNJDKPBW-YICNOGCWSA-N

SMILES

C(C[C@H](O[C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@](CO)(O)CO2)[C@@H](O)[C@H](O)[C@H]1O)C)[C@]3(O)C(C)(C)CC(=O)C=C3C

Canonical SMILES

O=C1C=C(C)C(O)(CCC(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-[(3R)-3-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]butyl]-4-hydroxy-3,5,5-trimethyl-, (4S)-
  • 2-Cyclohexen-1-one, 4-[3-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]butyl]-4-hydroxy-3,5,5-trimethyl-, [R-(R*,S*)]-
  • (4S)-4-[(3R)-3-[(6-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]butyl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

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