| SpectraBase Compound ID | 9dEHfOP2Rdl |
|---|---|
| InChI | InChI=1S/C32H54O12S.Na/c1-16(2)24(44-45(39,40)41)7-6-17(3)19-13-21(33)28-31(19,5)11-9-25-30(4)10-8-18(12-20(30)22(34)14-32(25,28)38)43-29-27(37)26(36)23(35)15-42-29;/h12,16-19,21-29,33-38H,6-11,13-15H2,1-5H3,(H,39,40,41);/q;+1/p-1/t17-,18+,19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+;/m1./s1 |
| InChIKey | VAWZFAXMMXLQSS-ABKGDFISSA-M |
| Mol Weight | 684.8 g/mol |
| Molecular Formula | C32H53NaO12S |
| Exact Mass | 684.315543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwMBkSDB5z2 |
|---|---|
| Name | PISASTEROSIDE-E;3-O-(BETA-D-XYLOPYRANOSYL)-5-ALPHA-CHOLEST-4-ENE-3-BETA,6-ALPHA,8,15-BETA,24-PENTAOL-24-SULFATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H53NaO12S |
| InChI | InChI=1S/C32H54O12S.Na/c1-16(2)24(44-45(39,40)41)7-6-17(3)19-13-21(33)28-31(19,5)11-9-25-30(4)10-8-18(12-20(30)22(34)14-32(25,28)38)43-29-27(37)26(36)23(35)15-42-29;/h12,16-19,21-29,33-38H,6-11,13-15H2,1-5H3,(H,39,40,41);/q;+1/p-1/t17-,18+,19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+;/m1./s1 |
| InChIKey | VAWZFAXMMXLQSS-ABKGDFISSA-M |
| Literature Reference Author | F.ZOLLO,E.FINAMORE,C.MARTUCCIO,L.MINALE |
| Literature Reference Citation | J.NAT.PROD.,53,1000(1990) |
| Literature Reference DOI | 10.1021/np50070a039 |
| Molecular Weight | 684.815 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWED16920 |