Clove 3

CAS Registry Number®

152041-16-2

CAS Name

Clove 3

Molecular Formula

C16H18O9

Molecular Mass

354.31

Cite this Page

Clove 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152041-16-2 (retrieved 2024-11-24) (CAS RN: 152041-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3/t9-,12-,13+,14-,16+/m1/s1

InChIKey

InChIKey=UDTUCCXZNVRBEJ-PBVFJORSSA-N

SMILES

OC=1C(=C2C(=C(O)C1)C(=O)C=C(C)O2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C1C=C(OC=2C1=C(O)C=C(O)C2C3OC(CO)C(O)C(O)C3O)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-5,7-dihydroxy-2-methyl-
  • 8-β-D-Glucopyranosyl-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-2-methylchromone 8-C-β-D-glucopyranoside
  • Clove 3
  • Isobiflorin

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