Ipecoside
Molecular 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/t14u,16u,18-,21u,22?,23?,24?,26+,27?/m1/s1
InChIKey: InChIKey=QISXROCIXKXUPS-COHGRQPBBB
SMILES: CC(=O)N1CCC2=CC(=C(C=C2C1CC3C(C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C=C)O)O
Names:
Ipecoside
methyl (6S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylate
NSC 603972
15401-60-2
2H-Pyran-5-carboxylic acid, 4-(((1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl)methyl)-3-ethenyl-2-(hexopyranosyloxy)-3,4-dihydro-, methyl ester, (2S)-
2H-Pyran-5-carboxylic acid, 4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(hexopyranosyloxy)-3,4-dihydro-, methyl ester, (2S)-
Registries:
PubChem CID 462196
PubChem ID 10558788
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