| SpectraBase Compound ID | Cz5vH1IcA1G |
|---|---|
| InChI | InChI=1S/C34H54O13S.Na/c1-15(2)16(3)27-29(45-27)34(6,40)23-8-7-19-18-14-22(47-48(41,42)43)21-13-17(9-11-32(21,4)20(18)10-12-33(19,23)5)44-31-26(37)24(35)25(36)28(46-31)30(38)39;/h10,15-19,21-29,31,35-37,40H,7-9,11-14H2,1-6H3,(H,38,39)(H,41,42,43);/q;+1/p-1/t16-,17?,18?,19?,21?,22+,23+,24+,25+,26-,27-,28+,29-,31-,32-,33+,34?;/m1./s1 |
| InChIKey | WEXSMXXQIWQGLE-BUKQDOPZSA-M |
| Mol Weight | 724.8 g/mol |
| Molecular Formula | C34H53NaO13S |
| Exact Mass | 724.310457 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 | KW7lM4PoGW1 |
|---|---|
| Name | DOWNEYOSIDE-E;3-BETA-O-(BETA-D-GLUCURONOPYRANOSYL)-(20R,22S,23S,24S)-22,23-EPOXY-20-HYDROXY-24-METHYL-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H53NaO13S |
| InChI | InChI=1S/C34H54O13S.Na/c1-15(2)16(3)27-29(45-27)34(6,40)23-8-7-19-18-14-22(47-48(41,42)43)21-13-17(9-11-32(21,4)20(18)10-12-33(19,23)5)44-31-26(37)24(35)25(36)28(46-31)30(38)39;/h10,15-19,21-29,31,35-37,40H,7-9,11-14H2,1-6H3,(H,38,39)(H,41,42,43);/q;+1/p-1/t16-,17?,18?,19?,21?,22+,23+,24+,25+,26-,27-,28+,29-,31-,32-,33+,34?;/m1./s1 |
| InChIKey | WEXSMXXQIWQGLE-BUKQDOPZSA-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 | 724.837 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15390 |