Gomphrenin I

CAS Registry Number®

17008-59-2
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CAS Name

Gomphrenin I

Molecular Formula

C24H26N2O13

Molecular Mass

550.47

Cite this Page

Gomphrenin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17008-59-2 (retrieved 2024-09-19) (CAS RN: 17008-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)

InChIKey

InChIKey=IKCBLEDGTPAJDE-UHFFFAOYSA-N

SMILES

C(=CC=1CC(C(O)=O)N=C(C(O)=O)C1)N2C=3C(CC2C(O)=O)=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C3

Canonical SMILES

O=C(O)C1=NC(C(=O)O)CC(C=CN2C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C=C3CC2C(=O)O)=C1

Other Names for this Substance

  • 2,6-Pyridinedicarboxylic acid, 4-[2-[(2S)-2-carboxy-6-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-, (2S)-
  • Gomphrenin I
  • 2,6-Pyridinedicarboxylic acid, 4-[2-[2-carboxy-6-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-, [S-(R*,R*)]-
  • (2S)-4-[2-[(2S)-2-Carboxy-6-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
  • Betanidin 6-β-D-glucopyranoside

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