| SpectraBase Compound ID | DaIrx5Khxbc |
|---|---|
| InChI | InChI=1S/C34H54O12S.Na/c1-15(2)16(3)28-29(44-28)17(4)20-7-8-21-19-14-24(46-47(40,41)42)23-13-18(9-11-34(23,6)22(19)10-12-33(20,21)5)43-32-27(37)25(35)26(36)30(45-32)31(38)39;/h10,15-21,23-30,32,35-37H,7-9,11-14H2,1-6H3,(H,38,39)(H,40,41,42);/q;+1/p-1/t16-,17-,18?,19?,20+,21?,23?,24-,25-,26-,27+,28-,29+,30-,32+,33+,34+;/m0./s1 |
| InChIKey | CAAWTOCXOUDFKZ-LPMHYZNTSA-M |
| Mol Weight | 708.8 g/mol |
| Molecular Formula | C34H53NaO12S |
| Exact Mass | 708.315543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wko4ERbc7P |
|---|---|
| Name | DOWNEYOSIDE-D;3-BETA-O-(BETA-D-GLUCURONOPYRANOSYL)-(22S,23S,24S)-22,23-EPOXY-24-METHYL-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H53NaO12S |
| InChI | InChI=1S/C34H54O12S.Na/c1-15(2)16(3)28-29(44-28)17(4)20-7-8-21-19-14-24(46-47(40,41)42)23-13-18(9-11-34(23,6)22(19)10-12-33(20,21)5)43-32-27(37)25(35)26(36)30(45-32)31(38)39;/h10,15-21,23-30,32,35-37H,7-9,11-14H2,1-6H3,(H,38,39)(H,40,41,42);/q;+1/p-1/t16-,17-,18?,19?,20+,21?,23?,24-,25-,26-,27+,28-,29+,30-,32+,33+,34+;/m0./s1 |
| InChIKey | CAAWTOCXOUDFKZ-LPMHYZNTSA-M |
| Literature Reference Author | E.PALAGIANO,F.ZOLLO,L.MINALE,M.IORIZZI,P.BRYAN,J.MCCLINTOCK, T.HOPKINS |
| Literature Reference Citation | J.NAT.PROD.,59,348(1996) |
| Literature Reference DOI | 10.1021/np9601014 |
| Molecular Weight | 708.837 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15389 |