prim-O-Glucosylcimifugin

CAS Registry Number®

80681-45-4

CAS Name

prim-O-Glucosylcimifugin

Molecular Formula

C22H28O11

Molecular Mass

468.45

Cite this Page

prim-O-Glucosylcimifugin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80681-45-4 (retrieved 2024-11-22) (CAS RN: 80681-45-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132-133 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1

InChIKey

InChIKey=XIUVHOSBSDYXRG-UVTAEQIVSA-N

SMILES

O(C)C=1C2=C(C=C3C1C[C@@H](C(C)(C)O)O3)OC(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC2=O

Canonical SMILES

O=C1C=C(OC=2C=C3OC(CC3=C(OC)C12)C(O)(C)C)COC4OC(CO)C(O)C(O)C4O

Other Names for this Substance

  • 5H-Furo[3,2-g][1]benzopyran-5-one, 7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (2S)-
  • 5H-Furo[3,2-g][1]benzopyran-5-one, 7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (S)-
  • (2S)-7-[(β-D-Glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one
  • prim-O-Glucosylcimifugin
  • Cimicifuga glycoside

Deleted or Replaced CAS Registry Numbers

1040409-91-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration