| SpectraBase Compound ID | C40x4KYzR64 |
|---|---|
| InChI | InChI=1S/C29H51NO8S/c1-16(5-8-23(32)17(2)27(35)30-11-12-39(36,37)38)20-6-7-21-26-22(15-25(34)29(20,21)4)28(3)10-9-19(31)13-18(28)14-24(26)33/h16-26,31-34H,5-15H2,1-4H3,(H,30,35)(H,36,37,38)/t16-,17+,18+,19-,20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | IRLLPYQZIDZRPZ-IFTXYPSESA-N |
| Mol Weight | 573.8 g/mol |
| Molecular Formula | C29H51NO8S |
| Exact Mass | 573.333539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KODDCyp6sdQ |
|---|---|
| Name | (24S,25S)-3-ALPHA,7-ALPHA,12-ALPHA,24-TETRAHYDROXY-5-BETA-CHOLESTAN-27-OYL-TAURINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H51NO8S |
| InChI | InChI=1S/C29H51NO8S/c1-16(5-8-23(32)17(2)27(35)30-11-12-39(36,37)38)20-6-7-21-26-22(15-25(34)29(20,21)4)28(3)10-9-19(31)13-18(28)14-24(26)33/h16-26,31-34H,5-15H2,1-4H3,(H,30,35)(H,36,37,38)/t16-,17+,18+,19-,20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | IRLLPYQZIDZRPZ-IFTXYPSESA-N |
| Literature Reference Author | L.R.HAGEY,S.OGAWA,N.KATO,R.SATOH,M.UNE,K.MITAMURA,S.IKEGAWA, A.F.HOFMANN,T.IIDA |
| Literature Reference Citation | STEROIDS,77,1510(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.08.017 |
| Molecular Weight | 573.786 g/mol |
| Sample ID | 70749 |
| Solvent | C5D5N |