Agnuside

CAS Registry Number®

11027-63-7
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CAS Name

Agnuside

Molecular Formula

C22H26O11

Molecular Mass

466.44

Cite this Page

Agnuside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=11027-63-7 (retrieved 2024-04-24) (CAS RN: 11027-63-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1

InChIKey

InChIKey=GLACGTLACKLUJX-QNAXTHAFSA-N

SMILES

O([C@H]1[C@]2([C@]([C@H](O)C=C2COC(=O)C3=CC=C(O)C=C3)(C=CO1)[H])[H])[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)C4=CC=C(O)C=C4

Other Names for this Substance

  • β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[(4-hydroxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl
  • Agnuside
  • β-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-[[(4-hydroxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl, (1α,4aα,5α,7aα)-
  • (1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-[[(4-hydroxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl β-D-glucopyranoside
  • Buddlejoside A

View All

Deleted or Replaced CAS Registry Numbers

31712-40-0, 37264-64-5, 40737-96-0

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