(-)-Bergenin

CAS Registry Number®

477-90-7

CAS Name

(-)-Bergenin

Molecular Formula

C14H16O9

Molecular Mass

328.27

Cite this Page

(-)-Bergenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=477-90-7 (retrieved 2024-11-22) (CAS RN: 477-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1

InChIKey

InChIKey=YWJXCIXBAKGUKZ-HJJNZUOJSA-N

SMILES

OC1=C2[C@]3([C@](OC(=O)C2=CC(O)=C1OC)([C@@H](O)[C@H](O)[C@@H](CO)O3)[H])[H]

Canonical SMILES

O=C1OC2C(O)C(O)C(OC2C3=C(O)C(OC)=C(O)C=C13)CO

Other Names for this Substance

  • Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-
  • Bergenin
  • Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, [2R-(2α,3β,4α,4aα,10bβ)]-
  • α-Resorcylic acid, 4-methoxy-2-[tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl]-, δ-lactone
  • (2R,3S,4S,4aR,10bS)-3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one

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Deleted or Replaced CAS Registry Numbers

1391-25-9, 12262-00-9, 22550-81-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration