Barbaloin

CAS Registry Number®

1415-73-2
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CAS Name

Barbaloin

Molecular Formula

C21H22O9

Molecular Mass

418.39

Cite this Page

Barbaloin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=1415-73-2 (retrieved 2024-04-19) (CAS RN: 1415-73-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-149 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1

InChIKey

InChIKey=AFHJQYHRLPMKHU-OSYMLPPYSA-N

SMILES

O[C@H]1[C@]([C@@]2(C=3C(C(=O)C=4C2=CC=CC4O)=C(O)C=C(CO)C3)[H])(O[C@H](CO)[C@@H](O)[C@@H]1O)[H]

Canonical SMILES

O=C1C=2C(O)=CC=CC2C(C3=CC(=CC(O)=C13)CO)C4OC(CO)C(O)C(O)C4O

Other Names for this Substance

  • 9(10H)-Anthracenone, 10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
  • Barbaloin
  • 9(10H)-Anthracenone, 10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (S)-
  • Anthrone, 10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-
  • (10S)-10-β-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone

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Deleted or Replaced CAS Registry Numbers

5133-19-7, 10361-17-8, 11019-96-8, 20226-90-8, 25429-08-7, 31017-11-5, 31048-97-2, 73649-92-0

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