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Substance Name: Clerodendrin
RN: 119738-57-7
InChIKey: SJFTVAAHLRFBST-DBFWEQBMSA-N

Note

  • Isolated from Clerodendron trichotomum Thunb.

Molecular Formula

  • C27-H26-O17

Molecular Weight

  • 622.4854
 
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Names and Synonyms

Name of Substance

  • Clerodendrin

Synonym

  • Apigenin-7-O-glucuronopyranosyl(1-2)-glucuronopyranoside

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-

Registry Numbers

CAS Registry Number

  • 119738-57-7

System Generated Number

  • 0119738577

Structure Descriptors

InChI

1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1

InChIKey

SJFTVAAHLRFBST-DBFWEQBMSA-N

Smiles

c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O