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Substance Name: Tangshenoside I
RN: 117278-74-7
InChIKey: ABKPQICIFGNRAA-YCRPTBBLSA-N

Note

  • From the root of Codonopsis pilosula.

Molecular Formula

  • C29-H42-O18

Molecular Weight

  • 678.633
 
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Names and Synonyms

Name of Substance

  • Tangshenoside I

Systematic Name

  • beta-D-Glucopyranoside, 4-(3-(4-carboxy-3-(beta-D-glucopyranosyloxy)-3-methyl-1-oxobutoxy)-1-propenyl)-2,6-dimethoxyphenyl, (S-(E))-

Registry Numbers

CAS Registry Number

  • 117278-74-7

System Generated Number

  • 0117278747

Structure Descriptors

InChI

1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m1/s1

InChIKey

ABKPQICIFGNRAA-YCRPTBBLSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)c1c(cc(cc1OC)\C=C\COC(C[C@@](CC(=O)O)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=O)OC