Tangshenoside I

CAS Registry Number®

117278-74-7

CAS Name

Tangshenoside I

Molecular Formula

C29H42O18

Molecular Mass

678.63

Cite this Page

Tangshenoside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117278-74-7 (retrieved 2025-01-05) (CAS RN: 117278-74-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=ABKPQICIFGNRAA-FPFGLZQYSA-N

SMILES

O(C1=C(OC)C=C(/C=C/COC(C[C@@](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(CC(O)=O)C)=O)C=C1OC)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)CC(OC1OC(CO)C(O)C(O)C1O)(C)CC(=O)OCC=CC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2

Other Names for this Substance

  • β-D-Glucopyranoside, 4-[(1E)-3-[(3S)-4-carboxy-3-(β-D-glucopyranosyloxy)-3-methyl-1-oxobutoxy]-1-propen-1-yl]-2,6-dimethoxyphenyl
  • β-D-Glucopyranoside, 4-[3-[4-carboxy-3-(β-D-glucopyranosyloxy)-3-methyl-1-oxobutoxy]-1-propenyl]-2,6-dimethoxyphenyl, [S-(E)]-
  • β-D-Glucopyranoside, 4-[(1E)-3-[(3S)-4-carboxy-3-(β-D-glucopyranosyloxy)-3-methyl-1-oxobutoxy]-1-propenyl]-2,6-dimethoxyphenyl
  • 4-[(1E)-3-[(3S)-4-Carboxy-3-(β-D-glucopyranosyloxy)-3-methyl-1-oxobutoxy]-1-propen-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside
  • Tangshenoside I

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