CAS Registry Number®
1415-73-2
CAS Name
Barbaloin
Molecular Formula
C21H22O9
Molecular Mass
418.39
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
- Aloin
- Aloin A
- Barbaloin A
- NSC 407305
- 10-epi-Aloin B
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
