| SpectraBase Compound ID | KNGklILR08I |
|---|---|
| InChI | InChI=1S/C35H62O14S.Na/c1-17(2)19(10-13-47-32-30(42)28(40)26(38)23(49-32)16-48-50(44,45)46)7-6-18(3)25-27(39)29(41)31-34(25,5)12-9-24-33(4)11-8-20(36)14-21(33)22(37)15-35(24,31)43;/h17-32,36-43H,6-16H2,1-5H3,(H,44,45,46);/q;+1/p-1/t18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35+;/m1./s1 |
| InChIKey | SBHGUXAKZSRNSJ-UHKUGSCQSA-M |
| Mol Weight | 760.9 g/mol |
| Molecular Formula | C35H61NaO14S |
| Exact Mass | 760.367972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISzMxGve6gg |
|---|---|
| Name | PISASTEROSIDE-F;(24R)-29-O-(BETA-D-GLUCOPYRANOSYL-6'-SULFATE)-24-ETHYL-5-ALPHA-CHOLESTA-3-BETA,6-ALPHA,8,15-BETA,16-BETA,29-HEXAOL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H61NaO14S |
| InChI | InChI=1S/C35H62O14S.Na/c1-17(2)19(10-13-47-32-30(42)28(40)26(38)23(49-32)16-48-50(44,45)46)7-6-18(3)25-27(39)29(41)31-34(25,5)12-9-24-33(4)11-8-20(36)14-21(33)22(37)15-35(24,31)43;/h17-32,36-43H,6-16H2,1-5H3,(H,44,45,46);/q;+1/p-1/t18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35+;/m1./s1 |
| InChIKey | SBHGUXAKZSRNSJ-UHKUGSCQSA-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 | 760.911 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWED16922 |