Methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate

CAS Registry Number®

15401-60-2
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CAS Name

Methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate

Molecular Formula

C27H35NO12

Molecular Mass

565.57

Cite this Page

Methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15401-60-2 (retrieved 2024-06-25) (CAS RN: 15401-60-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    ~175 °C (approx)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H35NO12/c1-4-14-16(8-18-15-9-20(32)19(31)7-13(15)5-6-28(18)12(2)30)17(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)21(10-29)39-27/h4,7,9,11,14,16,18,21-24,26-27,29,31-35H,1,5-6,8,10H2,2-3H3/t14-,16+,18-,21-,22-,23+,24-,26+,27+/m1/s1

InChIKey

InChIKey=QISXROCIXKXUPS-OWVLCBNUSA-N

SMILES

C([C@@H]1C=2C(CCN1C(C)=O)=CC(O)=C(O)C2)[C@H]3[C@@H](C=C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(OC)=O

Canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3C4=CC(O)=C(O)C=C4CCN3C(=O)C

Other Names for this Substance

  • 2H-Pyran-5-carboxylic acid, 4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, (2S,3R,4S)-
  • Ipecoside
  • 2H-Pyran-5-carboxylic acid, 4-[(2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl)methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, [2S-[2α,3β,4β(S*)]]-
  • Methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
  • NSC 603972

Deleted or Replaced CAS Registry Numbers

11038-89-4

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