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(24S,25R)-3-ALPHA,7-ALPHA,12-ALPHA,24-TETRAHYDROXY-5-BETA-CHOLESTAN-27-OYL-TAURINE
SpectraBase Compound ID 5VbIeqqyiJD
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-RBSSEMFLSA-N
Mol Weight 573.8 g/mol
Molecular Formula C29H51NO8S
Exact Mass 573.333539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4A37YW8xrDn
Name (24S,25R)-3-ALPHA,7-ALPHA,12-ALPHA,24-TETRAHYDROXY-5-BETA-CHOLESTAN-27-OYL-TAURINE
Compound Number 1
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-RBSSEMFLSA-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 70748
Solvent C5D5N