![DOWNEYOSIDE-H;3-BETA-O-[ALPHA-ARABINOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-(22S,23S)-22,23-EPOXY-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE](/api/spectrum/9rGVWcIsPIe/structure.png?h=300&w=458 "DOWNEYOSIDE-H;3-BETA-O-[ALPHA-ARABINOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-(22S,23S)-22,23-EPOXY-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE")
| SpectraBase Compound ID | JauaE7cwd8y |
|---|---|
| InChI | InChI=1S/C38H60O16S.Na/c1-16(2)12-26-31(51-26)17(3)20-6-7-21-19-14-25(54-55(46,47)48)23-13-18(8-10-38(23,5)22(19)9-11-37(20,21)4)50-36-33(29(42)28(41)32(52-36)34(44)45)53-35-30(43)27(40)24(39)15-49-35;/h9,16-21,23-33,35-36,39-43H,6-8,10-15H2,1-5H3,(H,44,45)(H,46,47,48);/q;+1/p-1/t17-,18-,19?,20+,21?,23?,24-,25-,26-,27-,28-,29-,30+,31+,32-,33+,35-,36+,37+,38+;/m0./s1 |
| InChIKey | WLCSFWRCVBWBHV-ILDHIGSZSA-M |
| Mol Weight | 826.9 g/mol |
| Molecular Formula | C38H59NaO16S |
| Exact Mass | 826.342151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rGVWcIsPIe |
|---|---|
| Name | DOWNEYOSIDE-H;3-BETA-O-[ALPHA-ARABINOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-(22S,23S)-22,23-EPOXY-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H59NaO16S |
| InChI | InChI=1S/C38H60O16S.Na/c1-16(2)12-26-31(51-26)17(3)20-6-7-21-19-14-25(54-55(46,47)48)23-13-18(8-10-38(23,5)22(19)9-11-37(20,21)4)50-36-33(29(42)28(41)32(52-36)34(44)45)53-35-30(43)27(40)24(39)15-49-35;/h9,16-21,23-33,35-36,39-43H,6-8,10-15H2,1-5H3,(H,44,45)(H,46,47,48);/q;+1/p-1/t17-,18-,19?,20+,21?,23?,24-,25-,26-,27-,28-,29-,30+,31+,32-,33+,35-,36+,37+,38+;/m0./s1 |
| InChIKey | WLCSFWRCVBWBHV-ILDHIGSZSA-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 | 826.927 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15393 |