| SpectraBase Compound ID | JpyupfHU6pI |
|---|---|
| InChI | InChI=1S/C32H52O12S2.2Na/c1-19(20(2)17-41-21(3)33)7-8-23(18-42-45(35,36)37)26-11-12-27-25-10-9-24-15-29(44-46(38,39)40)30(43-22(4)34)16-32(24,6)28(25)13-14-31(26,27)5;;/h20,23-30H,1,7-18H2,2-6H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/t20-,23+,24-,25-,26+,27-,28-,29-,30-,31+,32-;;/m0../s1 |
| InChIKey | SZFNAUFSVFEUBK-MXPHWYCASA-L |
| Mol Weight | 736.83953856 g/mol |
| Molecular Formula | C32H50Na2O12S2 |
| Exact Mass | 736.253908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74XfFsBBgge |
|---|---|
| Name | (20R,25R)-24-METHYL-5-ALPHA-CHOLEST-24(28)-ENE-2-BETA,3-ALPHA,21,26-TETRAOL-2,26-DIACETATE-3,21-DISULFATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50Na2O12S2 |
| InChI | InChI=1S/C32H52O12S2.2Na/c1-19(20(2)17-41-21(3)33)7-8-23(18-42-45(35,36)37)26-11-12-27-25-10-9-24-15-29(44-46(38,39)40)30(43-22(4)34)16-32(24,6)28(25)13-14-31(26,27)5;;/h20,23-30H,1,7-18H2,2-6H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/t20-,23+,24-,25-,26+,27-,28-,29-,30-,31+,32-;;/m0../s1 |
| InChIKey | SZFNAUFSVFEUBK-MXPHWYCASA-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 | 736.841 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS19567 |