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Substance Name: Periclymenosidic acid
RN: 96681-56-0
InChIKey: QTZXVESWHBGRDB-DEIAFWENSA-N

Molecular Weight

  • 714.666
 
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Names and Synonyms

  • Periclymenosidic acid

Registry Numbers

CAS Registry Number

  • 96681-56-0

System Generated Number

  • 0096681560

Structure Descriptors

InChI

1S/C32H42O18/c1-12-17(8-14-15(29(42)43)11-45-30(22(12)14)50-32-28(41)26(39)24(37)20(10-34)49-32)46-21(35)6-4-13-3-5-16(18(7-13)44-2)47-31-27(40)25(38)23(36)19(9-33)48-31/h3-7,11-12,14,17,19-20,22-28,30-34,36-41H,8-10H2,1-2H3,(H,42,43)/b6-4+/t12?,14?,17?,19-,20-,22?,23-,24-,25+,26+,27-,28-,30?,31-,32+/m1/s1

InChIKey

QTZXVESWHBGRDB-DEIAFWENSA-N

Smiles

C=1([C@@H]2[C@@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H]([C@@H](C2)OC(\C=C\c1cc(c(cc1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OC)=O)C)C(=O)O