| SpectraBase Compound ID | 2dJjqdQ0mBC |
|---|---|
| InChI | InChI=1S/C27H46O8S2.2Na/c1-18(2)6-5-7-19(17-34-36(28,29)30)23-10-11-24-22-9-8-20-16-21(35-37(31,32)33)12-14-26(20,3)25(22)13-15-27(23,24)4;;/h8,18-19,21-25H,5-7,9-17H2,1-4H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/t19-,21-,22+,23-,24+,25+,26+,27-;;/m1../s1 |
| InChIKey | OVGSYXHJJJECQY-YCTBCQFTSA-L |
| Mol Weight | 606.74053856 g/mol |
| Molecular Formula | C27H44Na2O8S2 |
| Exact Mass | 606.227299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ln94rhquBHg |
|---|---|
| Name | (20R)-CHOLEST-5-ENE-3-ALPHA,21-DIOL-DISULFATE-DISODIUM-SALT |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44Na2O8S2 |
| InChI | InChI=1S/C27H46O8S2.2Na/c1-18(2)6-5-7-19(17-34-36(28,29)30)23-10-11-24-22-9-8-20-16-21(35-37(31,32)33)12-14-26(20,3)25(22)13-15-27(23,24)4;;/h8,18-19,21-25H,5-7,9-17H2,1-4H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/t19-,21-,22+,23-,24+,25+,26+,27-;;/m1../s1 |
| InChIKey | OVGSYXHJJJECQY-YCTBCQFTSA-L |
| Literature Reference Author | S.N.FEDOROV,E.V.LEVINA,A.I.KALINOVSKY,P.S.DMITRENOK,V.A.STON IK |
| Literature Reference Citation | J.NAT.PROD.,57,1631(1994) |
| Literature Reference DOI | 10.1021/np50114a004 |
| Molecular Weight | 606.741 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRK169 |