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Substance Name: Berchemolide
RN: 142569-83-3
InChIKey: PHSXNKUCYFWOAY-OKNYKLPDSA-N

Note

  • From Berchemia racemosa; dimer of vanillic acid glucoside having a cyclic dilactone structure with a 22-membered ring.

Molecular Formula

  • C28-H32-O16

Molecular Weight

  • 626.5606
 
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Names and Synonyms

Name of Substance

  • Berchemolide

Systematic Name

  • Benzoic acid, 4-((6-O-(4-(beta-D-glucopyranosyloxy)-3-methoxybenzoyl)-beta-D-glucopyranosyl)oxy)-3-methoxy-, intramol. 1,6''-ester

Registry Numbers

CAS Registry Number

  • 142569-83-3

System Generated Number

  • 0142569833

Structure Descriptors

InChI

1S/C28H34O16/c1-11-7-13(4-5-14(11)41-27-23(34)21(32)19(30)17(9-29)43-27)26(38)40-10-18-20(31)22(33)24(35)28(44-18)42-15-6-3-12(25(36)37)8-16(15)39-2/h3-8,17-24,27-35H,9-10H2,1-2H3,(H,36,37)/t17-,18-,19-,20-,21+,22+,23-,24-,27-,28-/m1/s1

InChIKey

PHSXNKUCYFWOAY-OKNYKLPDSA-N

Smiles

Cc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)Oc4ccc(cc4OC)C(=O)O)O)O)O