| SpectraBase Compound ID | H3gmw4OOoU7 |
|---|---|
| InChI | InChI=1S/C27H46O10S2.2Na/c1-17(15-28)5-4-6-18(16-36-38(30,31)32)21-9-10-22-20-8-7-19-13-24(29)25(37-39(33,34)35)14-27(19,3)23(20)11-12-26(21,22)2;;/h7,17-18,20-25,28-29H,4-6,8-16H2,1-3H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t17-,18-,20+,21-,22+,23+,24+,25+,26-,27+;;/m1../s1 |
| InChIKey | YJFWNIAZGCHQCD-CDSUFEPDSA-L |
| Mol Weight | 638.73853856 g/mol |
| Molecular Formula | C27H44Na2O10S2 |
| Exact Mass | 638.217129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSbOnsjcjF8 |
|---|---|
| Name | (20R,25R)-CHOLEST-5-ENE-2-BETA,3-ALPHA,21,26-TETRAOL-2,21-DISULFATE;EPIMER-#1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44Na2O10S2 |
| InChI | InChI=1S/C27H46O10S2.2Na/c1-17(15-28)5-4-6-18(16-36-38(30,31)32)21-9-10-22-20-8-7-19-13-24(29)25(37-39(33,34)35)14-27(19,3)23(20)11-12-26(21,22)2;;/h7,17-18,20-25,28-29H,4-6,8-16H2,1-3H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t17-,18-,20+,21-,22+,23+,24+,25+,26-,27+;;/m1../s1 |
| InChIKey | YJFWNIAZGCHQCD-CDSUFEPDSA-L |
| Literature Reference Author | E.V.LEVINA,P.V.ANDRIYASCHENKO,A.I.KALINOVSKY,V.A.STONIK |
| Literature Reference Citation | J.NAT.PROD.,61,1423(1998) |
| Literature Reference DOI | 10.1021/np9801864 |
| Molecular Weight | 638.740 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS19568 |