![SODIUM-2-[[3-ALPHA,7-ALPHA,11-ALPHA-TRIHYDROXY-24-OXO-5-BETA-CHOLAN-24-YL]-AMINO]-ETHANESULFONATE](/api/spectrum/8Y3vTaRIz8z/structure.png?h=300&w=458 "SODIUM-2-[[3-ALPHA,7-ALPHA,11-ALPHA-TRIHYDROXY-24-OXO-5-BETA-CHOLAN-24-YL]-AMINO]-ETHANESULFONATE")
| SpectraBase Compound ID | 7Oi7Q5zCszo |
|---|---|
| InChI | InChI=1S/C26H45NO7S.Na/c1-15(4-7-22(31)27-10-11-35(32,33)34)18-5-6-19-23-20(29)13-16-12-17(28)8-9-25(16,2)24(23)21(30)14-26(18,19)3;/h15-21,23-24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20-,21-,23-,24+,25+,26-;/m1./s1 |
| InChIKey | WYPNSYDTASVOFV-YPBSOPNLSA-M |
| Mol Weight | 537.7 g/mol |
| Molecular Formula | C26H44NNaO7S |
| Exact Mass | 537.273618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Y3vTaRIz8z |
|---|---|
| Name | SODIUM-2-[[3-ALPHA,7-ALPHA,11-ALPHA-TRIHYDROXY-24-OXO-5-BETA-CHOLAN-24-YL]-AMINO]-ETHANESULFONATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H44NNaO7S |
| InChI | InChI=1S/C26H45NO7S.Na/c1-15(4-7-22(31)27-10-11-35(32,33)34)18-5-6-19-23-20(29)13-16-12-17(28)8-9-25(16,2)24(23)21(30)14-26(18,19)3;/h15-21,23-24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20-,21-,23-,24+,25+,26-;/m1./s1 |
| InChIKey | WYPNSYDTASVOFV-YPBSOPNLSA-M |
| Literature Reference Author | H.ISHIDA,H.NAKAYASU,H.MIYAMOTO,N.NUKAYA,K.TSUJI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,12(1998) |
| Literature Reference DOI | 10.1248/cpb.46.12 |
| Molecular Weight | 537.688 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS6110 |