| SpectraBase Compound ID | 8C3b6DuTiCr |
|---|---|
| InChI | InChI=1S/C33H54O13S.Na/c1-16(2)7-6-10-33(5,40)28-22(34)15-20-18-14-23(46-47(41,42)43)21-13-17(8-11-31(21,3)19(18)9-12-32(20,28)4)44-30-26(37)24(35)25(36)27(45-30)29(38)39;/h9,16-18,20-28,30,34-37,40H,6-8,10-15H2,1-5H3,(H,38,39)(H,41,42,43);/q;+1/p-1/t17-,18?,20?,21?,22-,23-,24-,25-,26+,27-,28-,30+,31+,32-,33?;/m0./s1 |
| InChIKey | OQALSVRGLUEYFI-FDMMGKQESA-M |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C33H53NaO13S |
| Exact Mass | 712.310457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8LmIa4FNha |
|---|---|
| Name | DOWNEYOSIDE-K;3-BETA-O-(BETA-D-GLUCURONOPYRANOSYL)-(20S)-16-BETA,20-DIHYDROXY-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H53NaO13S |
| InChI | InChI=1S/C33H54O13S.Na/c1-16(2)7-6-10-33(5,40)28-22(34)15-20-18-14-23(46-47(41,42)43)21-13-17(8-11-31(21,3)19(18)9-12-32(20,28)4)44-30-26(37)24(35)25(36)27(45-30)29(38)39;/h9,16-18,20-28,30,34-37,40H,6-8,10-15H2,1-5H3,(H,38,39)(H,41,42,43);/q;+1/p-1/t17-,18?,20?,21?,22-,23-,24-,25-,26+,27-,28-,30+,31+,32-,33?;/m0./s1 |
| InChIKey | OQALSVRGLUEYFI-FDMMGKQESA-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 | 712.826 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15391 |