| SpectraBase Compound ID | 8dv4BrPsPTV |
|---|---|
| InChI | InChI=1S/C25H34O10/c1-14(10-11-32-16-7-5-15-6-9-20(28)33-17(15)12-16)4-8-19(27)25(2,3)35-24-23(31)22(30)21(29)18(13-26)34-24/h5-7,9-10,12,18-19,21-24,26-27,29-31H,4,8,11,13H2,1-3H3/b14-10+/t18-,19-,21-,22+,23-,24+/m0/s1 |
| InChIKey | FOXNJWZLANRZNJ-BEGXLATDSA-N |
| Mol Weight | 494.5 g/mol |
| Molecular Formula | C25H34O10 |
| Exact Mass | 494.215197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zEjXAAZO3h |
|---|---|
| Name | PITURANTHOSIDE;(-)-S-TRANS-MARMIN-7'-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O10 |
| InChI | InChI=1S/C25H34O10/c1-14(10-11-32-16-7-5-15-6-9-20(28)33-17(15)12-16)4-8-19(27)25(2,3)35-24-23(31)22(30)21(29)18(13-26)34-24/h5-7,9-10,12,18-19,21-24,26-27,29-31H,4,8,11,13H2,1-3H3/b14-10+/t18-,19-,21-,22+,23-,24+/m0/s1 |
| InChIKey | FOXNJWZLANRZNJ-BEGXLATDSA-N |
| Literature Reference Author | A.F.HALIM,H.E.A.SAAD,M.F.LAHLOUB,A.F.AHMED |
| Literature Reference Citation | PHYTOCHEM.,40,927(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00236-Z |
| Molecular Weight | 494.539 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS2585 |