| SpectraBase Compound ID | 7XdZf0ImqZD |
|---|---|
| InChI | InChI=1S/C27H44O10S2.2Na/c1-16(2)6-5-7-17(15-36-38(30,31)32)19-10-11-20-18-8-9-22-24(29)25(37-39(33,34)35)23(28)14-27(22,4)21(18)12-13-26(19,20)3;;/h6,9,17-21,23-25,28-29H,5,7-8,10-15H2,1-4H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t17?,18-,19+,20-,21-,23+,24+,25+,26+,27+;;/m0../s1 |
| InChIKey | ZHIMSWBUQRHBOY-MJBBBASHSA-L |
| Mol Weight | 636.72253856 g/mol |
| Molecular Formula | C27H42Na2O10S2 |
| Exact Mass | 636.201478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqoMlgGH5jc |
|---|---|
| Name | (20R)-CHOLESTA-5,24-DIENE-2-ALPHA,3-ALPHA,4-BETA,21-TETROL-3,21-DISULFATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42Na2O10S2 |
| InChI | InChI=1S/C27H44O10S2.2Na/c1-16(2)6-5-7-17(15-36-38(30,31)32)19-10-11-20-18-8-9-22-24(29)25(37-39(33,34)35)23(28)14-27(22,4)21(18)12-13-26(19,20)3;;/h6,9,17-21,23-25,28-29H,5,7-8,10-15H2,1-4H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t17?,18-,19+,20-,21-,23+,24+,25+,26+,27+;;/m0../s1 |
| InChIKey | ZHIMSWBUQRHBOY-MJBBBASHSA-L |
| Literature Reference Author | A.J.ROCCATAGLIATA,M.S.MAIER,A.M.SELDES |
| Literature Reference Citation | J.NAT.PROD.,61,370(1998) |
| Literature Reference DOI | 10.1021/np970429c |
| Molecular Weight | 636.724 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGS43 |