| SpectraBase Compound ID | 25U2vIAafQ3 |
|---|---|
| InChI | InChI=1S/C29H50O10S.Na/c1-6-18(27(5,33)16-39-40(36,37)38)8-7-17(2)20-13-21(31)24-25(20,3)11-10-22-26(4)12-9-19(30)14-29(26,35)23(32)15-28(22,24)34;/h7-8,17-24,30-35H,6,9-16H2,1-5H3,(H,36,37,38);/q;+1/p-1/b8-7+;/t17-,18-,19+,20-,21+,22-,23-,24-,25-,26-,27+,28+,29+;/m1./s1 |
| InChIKey | RDTVVOYKDFRAKB-HQSHIXLBSA-M |
| Mol Weight | 612.8 g/mol |
| Molecular Formula | C29H49NaO10S |
| Exact Mass | 612.294413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5cW7drpjBJV |
|---|---|
| Name | 24-ETHYL-5-ALPHA-CHOLEST-22-EN-3-BETA,5,6-BETA,8,15-ALPHA,25,26-HEPTOL-26-SULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H49NaO10S |
| InChI | InChI=1S/C29H50O10S.Na/c1-6-18(27(5,33)16-39-40(36,37)38)8-7-17(2)20-13-21(31)24-25(20,3)11-10-22-26(4)12-9-19(30)14-29(26,35)23(32)15-28(22,24)34;/h7-8,17-24,30-35H,6,9-16H2,1-5H3,(H,36,37,38);/q;+1/p-1/b8-7+;/t17-,18-,19+,20-,21+,22-,23-,24-,25-,26-,27+,28+,29+;/m1./s1 |
| InChIKey | RDTVVOYKDFRAKB-HQSHIXLBSA-M |
| Literature Reference Author | F.DERICCARDIS,I.IZZO,M.IORIZZI,E.PALAGIANO,L.MINALE,R.RICCIO |
| Literature Reference Citation | J.NAT.PROD.,59,386(1996) |
| Literature Reference DOI | 10.1021/np9601061 |
| Molecular Weight | 612.752 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2420 |