CAS 15401-60-2

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

Description:

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, with CAS number 15401-60-2, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as esters, sugars, and heterocycles. This compound features a glucopyranosyl moiety, indicating it has glycosidic characteristics, which may influence its solubility and biological activity. The presence of a tetrahydroisoquinoline structure suggests potential pharmacological properties, as many isoquinoline derivatives are known for their diverse biological activities, including anti-inflammatory and analgesic effects. The stereochemistry indicated by the (2S,3R,4S) configuration suggests specific spatial arrangements that can significantly affect the compound's reactivity and interaction with biological targets. Overall, this compound's unique structural features may contribute to its potential applications in medicinal chemistry and biochemistry.

Formula: C₂₇H₃₅NO₁₂

InChI: InChI=1/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

InChI key: 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

Synonyms:

• 2H-Pyran-5-carboxylic acid, 4-[(2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl)methyl]-3-ethenyl-2-(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-3,4-dihydro-, methyl ester, [2S-[2α,3β,4β(S*)]]-
• 2H-Pyran-5-carboxylic acid, 4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-3,4-dihydro-, methyl ester, (2S,3R,4S)-
• Ipecoside
• Methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
• NSC 603972
• 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)-
• 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
• 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*)]]-Ipecoside (6CI,8CI)
• (2S)-4α-[[(1R)-2-Acetyl-1,2,3,4-tetrahydro-6,7-dihydroxyisoquinolin-1-yl]methyl]-3α-vinyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester
• AIDS031406

Ipecoside

CAS: 15401-60-2

Ipecoside

Purity: ≥98%

Molecular weight: 565.57g/mol

Ref: 54-BUP04576

Ipecoside

CAS: 15401-60-2

Formula: C₂₇H₃₅NO₁₂

Molecular weight: 565.57

Ref: 7W-GY9681

Ipecoside

CAS: 15401-60-2

Formula: C₂₇H₃₅NO₁₂

Purity: 95%~99%

Molecular weight: 565.572

Ref: BP-BP2010

Ipecoside

CAS: 15401-60-2

Ipecoside (AIDS031406) is a natural product Psychotria ipecacuanha.

Formula: C₂₇H₃₅NO₁₂

Purity: 98% - 98.28%

Color and Shape: Solid

Molecular weight: 565.57

Ref: TM-T5748