| SpectraBase Compound ID | 9ZTDDdYGYaD |
|---|---|
| InChI | InChI=1S/C26H42O9S2.2Na/c1-16(2)5-6-17(15-34-36(28,29)30)20-9-10-21-19-8-7-18-13-24(35-37(31,32)33)23(27)14-26(18,4)22(19)11-12-25(20,21)3;;/h5-7,16-17,19-24,27H,8-15H2,1-4H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b6-5+;;/t17-,19+,20-,21+,22+,23+,24+,25-,26+;;/m1../s1 |
| InChIKey | ZSYKDNHWCRWIEF-AIZSKLLOSA-L |
| Mol Weight | 606.69653856 g/mol |
| Molecular Formula | C26H40Na2O9S2 |
| Exact Mass | 606.190914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPs9CnlE1Wm |
|---|---|
| Name | (20R)-24-NOR-CHOLESTA-5,22E-DIENE-2-BETA,3-ALPHA,21-TRIOL-3,21-DISULFATE-DISODIUM-SALT |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40Na2O9S2 |
| InChI | InChI=1S/C26H42O9S2.2Na/c1-16(2)5-6-17(15-34-36(28,29)30)20-9-10-21-19-8-7-18-13-24(35-37(31,32)33)23(27)14-26(18,4)22(19)11-12-25(20,21)3;;/h5-7,16-17,19-24,27H,8-15H2,1-4H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b6-5+;;/t17-,19+,20-,21+,22+,23+,24+,25-,26+;;/m1../s1 |
| InChIKey | ZSYKDNHWCRWIEF-AIZSKLLOSA-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 | 606.698 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWRK165 |