| SpectraBase Compound ID | 9LcFbbGDf0h |
|---|---|
| InChI | InChI=1S/C31H52O12S2.2Na/c1-19(17-40-20(2)32)7-6-8-22(18-41-44(34,35)36)25-11-12-26-24-10-9-23-15-28(43-45(37,38)39)29(42-21(3)33)16-31(23,5)27(24)13-14-30(25,26)4;;/h19,22-29H,6-18H2,1-5H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/t19-,22+,23-,24-,25+,26-,27-,28-,29-,30+,31-;;/m0../s1 |
| InChIKey | CSTGGLCCYXICDD-FVYOCIHSSA-L |
| Mol Weight | 724.82853856 g/mol |
| Molecular Formula | C31H50Na2O12S2 |
| Exact Mass | 724.253908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RJqluW34wZ |
|---|---|
| Name | (20R,25R)-5-ALPHA-CHOLESTANE-2-BETA,3-ALPHA,21,26-TETRAOL-2,26-DIACETATE-3,21-DISULFATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50Na2O12S2 |
| InChI | InChI=1S/C31H52O12S2.2Na/c1-19(17-40-20(2)32)7-6-8-22(18-41-44(34,35)36)25-11-12-26-24-10-9-23-15-28(43-45(37,38)39)29(42-21(3)33)16-31(23,5)27(24)13-14-30(25,26)4;;/h19,22-29H,6-18H2,1-5H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/t19-,22+,23-,24-,25+,26-,27-,28-,29-,30+,31-;;/m0../s1 |
| InChIKey | CSTGGLCCYXICDD-FVYOCIHSSA-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 | 724.830 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS19570 |