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Substance Name: Bruceolline A
RN: 159194-90-8
InChIKey: VPNZWBQNGLKMGR-IWDCVFEHSA-N

Note

  • Isolated from Brucea mollis.

Molecular Weight

  • 560.5092
 
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Names and Synonyms

Name of Substance

  • Bruceolline A

Synonym

  • 11-O-Glucopyranosyl-1-6-glucopyranosylcanthin-6-one

Systematic Name

  • 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 11-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-

Registry Numbers

CAS Registry Number

  • 159194-90-8

System Generated Number

  • 0159194908

Structure Descriptors

InChI

1S/C26H28N2O12/c29-8-14-19(31)21(33)23(35)25(39-14)37-9-15-20(32)22(34)24(36)26(40-15)38-13-3-1-2-12-17(13)10-6-7-27-11-4-5-16(30)28(12)18(10)11/h1-7,14-15,19-26,29,31-36H,8-9H2/t14-,15-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1

InChIKey

VPNZWBQNGLKMGR-IWDCVFEHSA-N

Smiles

OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cccc4c3c5ccnc6C=CC(=O)n4c56)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O