| SpectraBase Compound ID | HbgVsow1Fan |
|---|---|
| InChI | InChI=1S/C28H48O10S2.2Na/c1-17(18(2)15-29)5-6-19(16-37-39(31,32)33)22-9-10-23-21-8-7-20-13-26(38-40(34,35)36)25(30)14-28(20,4)24(21)11-12-27(22,23)3;;/h18-26,29-30H,1,5-16H2,2-4H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t18-,19+,20-,21-,22+,23-,24-,25-,26-,27+,28-;;/m0../s1 |
| InChIKey | XBNOHIBUXXDRLZ-HMBVAPRCSA-L |
| Mol Weight | 652.76553856 g/mol |
| Molecular Formula | C28H46Na2O10S2 |
| Exact Mass | 652.232779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cHYy6NPok0 |
|---|---|
| Name | (20R,25R)-24-METHYL-5-ALPHA-CHOLEST-24(28)-ENE-2-BETA,3-ALPHA,21,26-TETRAOL-3,21-DISULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46Na2O10S2 |
| InChI | InChI=1S/C28H48O10S2.2Na/c1-17(18(2)15-29)5-6-19(16-37-39(31,32)33)22-9-10-23-21-8-7-20-13-26(38-40(34,35)36)25(30)14-28(20,4)24(21)11-12-27(22,23)3;;/h18-26,29-30H,1,5-16H2,2-4H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t18-,19+,20-,21-,22+,23-,24-,25-,26-,27+,28-;;/m0../s1 |
| InChIKey | XBNOHIBUXXDRLZ-HMBVAPRCSA-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 | 652.767 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS19566 |