| SpectraBase Compound ID | BNU7xysa6q |
|---|---|
| InChI | InChI=1S/C33H52O12S.Na/c1-15(2)12-24-28(43-24)16(3)19-6-7-20-18-14-23(45-46(39,40)41)22-13-17(8-10-33(22,5)21(18)9-11-32(19,20)4)42-31-27(36)25(34)26(35)29(44-31)30(37)38;/h9,15-20,22-29,31,34-36H,6-8,10-14H2,1-5H3,(H,37,38)(H,39,40,41);/q;+1/p-1/t16-,17?,18?,19+,20?,22?,23-,24-,25-,26-,27+,28+,29-,31+,32+,33+;/m0./s1 |
| InChIKey | DMZBNMVONJSNCA-RWZGZLECSA-M |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C33H51NaO12S |
| Exact Mass | 694.299893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3osCdleWwOr |
|---|---|
| Name | DOWNEYOSIDE-C;3-BETA-O-(BETA-D-GLUCURONOPYRANOSYL)-(22S,23S)-22,23-EPOXY-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H51NaO12S |
| InChI | InChI=1S/C33H52O12S.Na/c1-15(2)12-24-28(43-24)16(3)19-6-7-20-18-14-23(45-46(39,40)41)22-13-17(8-10-33(22,5)21(18)9-11-32(19,20)4)42-31-27(36)25(34)26(35)29(44-31)30(37)38;/h9,15-20,22-29,31,34-36H,6-8,10-14H2,1-5H3,(H,37,38)(H,39,40,41);/q;+1/p-1/t16-,17?,18?,19+,20?,22?,23-,24-,25-,26-,27+,28+,29-,31+,32+,33+;/m0./s1 |
| InChIKey | DMZBNMVONJSNCA-RWZGZLECSA-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 | 694.811 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15388 |