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METHYL-6-[(2-CARBOXYETHYL)-(3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL)-AMINO]-6-DEOXY-ALPHA-D-MANNOPYRANOSIDE

Compound with spectra: 1 NMR

METHYL-6-[(2-CARBOXYETHYL)-(3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL)-AMINO]-6-DEOXY-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID KMaKtiPmfBN
InChI InChI=1S/C34H57NO11/c1-17(5-8-26(39)35(12-10-27(40)41)16-24-29(42)30(43)31(44)32(45-4)46-24)20-6-7-21-28-22(15-25(38)34(20,21)3)33(2)11-9-19(36)13-18(33)14-23(28)37/h17-25,28-32,36-38,42-44H,5-16H2,1-4H3,(H,40,41)/t17-,18+,19-,20-,21+,22+,23-,24-,25+,28+,29-,30+,31+,32+,33+,34-/m1/s1
InChIKey ZACJJURDEAXLHM-QLYJQHNESA-N
Mol Weight 655.8 g/mol
Molecular Formula C34H57NO11
Exact Mass 655.393162 g/mol
Enantiomer InChIKey ZACJJURDEAXLHM-QPQASEAXSA-N

View Spectrum of METHYL-6-[(2-CARBOXYETHYL)-(3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL)-AMINO]-6-DEOXY-ALPHA-D-MANNOPYRANOSIDE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O
WBBQIRHMDDLCHH-QOKIAHHMSA-N
ZXCYWPNJXFQNDV-HBDUHBFBSA-N
23-(Benzimidazol-2'-yl)-3.alpha.-[choloyl)oxy]norcholane-7.alpha.,12.alpha.-diol
5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,23-TETROL-23-GLUCURONIDE
METHYL-3-ACETOXY-12-BENZYLOXY-7-HYDROXYCHOLANOATE
DIETHYL-7-ALPHA,12-ALPHA-DIFORMYLOXY-3-ALPHA,24-(S)-DIHYDROXY-5-BETA-CHOLESTANE-26,27-DIOATE
DIETHYL-7-ALPHA,12-ALPHA-DIFORMYLOXY-3-ALPHA,24-(R)-DIHYDROXY-5-BETA-CHOLESTANE-26,27-DIOATE
Cholic acid, methyl ester, 3,7-diacetate
Methyl 3,7-bis(acetyloxy)-12-hydroxycholan-24-oate
Cholan-24-oic acid, 7,12-bis(acetyloxy)-3-hydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
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