| SpectraBase Compound ID | 1uKC2kQtmTr |
|---|---|
| InChI | InChI=1S/C27H48O8S.Na/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30;/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34);/q;+1/p-1/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-;/m1./s1 |
| InChIKey | PUTRWEXYAIMOSC-CBFHCEGQSA-M |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C27H47NaO8S |
| Exact Mass | 554.288934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDyvvIHthOg |
|---|---|
| Name | (25R)-(+)-3-ALPHA,7-ALPHA,12-ALPHA,26-TETRAHYDROXY-5-BETA-CHOLESTAN-27-YL-SODIUM-SULFATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H47NaO8S |
| InChI | InChI=1S/C27H48O8S.Na/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30;/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34);/q;+1/p-1/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-;/m1./s1 |
| InChIKey | PUTRWEXYAIMOSC-CBFHCEGQSA-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 | 554.715 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6108 |