| SpectraBase Compound ID | DQJrVSG9LfO |
|---|---|
| InChI | InChI=1S/C35H58O11S/c1-18(36)31(4)13-14-33(6)27(31)20(38)16-35(8)28(33)19(37)15-23-32(5)11-10-24(30(2,3)22(32)9-12-34(23,35)7)45-29-25(40)26(21(39)17-44-29)46-47(41,42)43/h19-29,37-40H,9-17H2,1-8H3,(H,41,42,43)/t19-,20+,21-,22+,23-,24+,25-,26+,27+,28-,29+,31+,32+,33+,34-,35-/m1/s1 |
| InChIKey | JSYXOTDTFUFIKN-CKRDCMDVSA-N |
| Mol Weight | 686.9 g/mol |
| Molecular Formula | C35H58O11S |
| Exact Mass | 686.369984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17z99TP3IjX |
|---|---|
| Name | SPERGULIN-A;3-O-(BETA-D-XYLOPYRANOSYL-4-SULPHATE)-SPERGULAGENIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O11S |
| InChI | InChI=1S/C35H58O11S/c1-18(36)31(4)13-14-33(6)27(31)20(38)16-35(8)28(33)19(37)15-23-32(5)11-10-24(30(2,3)22(32)9-12-34(23,35)7)45-29-25(40)26(21(39)17-44-29)46-47(41,42)43/h19-29,37-40H,9-17H2,1-8H3,(H,41,42,43)/t19-,20+,21-,22+,23-,24+,25-,26+,27+,28-,29+,31+,32+,33+,34-,35-/m1/s1 |
| InChIKey | JSYXOTDTFUFIKN-CKRDCMDVSA-N |
| Literature Reference Author | N.P.SAHU,K.KOIKE,S.BANERJEE,B.ACHARI,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,58,1177(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00346-6 |
| Molecular Weight | 686.899 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU3121 |