![ZYGOPHYLOSIDE-D;3-O-[BETA-D-2-O-SULPHONYL-QUINOVOPYRANOSYL]-QUINOVIC-ACID](/api/spectrum/A5BfD4SYhP8/structure.png?h=300&w=458 "ZYGOPHYLOSIDE-D;3-O-[BETA-D-2-O-SULPHONYL-QUINOVOPYRANOSYL]-QUINOVIC-ACID")
| SpectraBase Compound ID | 5pmawrCgZrc |
|---|---|
| InChI | InChI=1S/C36H56O12S/c1-18-10-15-35(30(39)40)16-17-36(31(41)42)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)47-29-28(48-49(43,44)45)27(38)26(37)20(3)46-29/h8,18-20,22-29,37-38H,9-17H2,1-7H3,(H,39,40)(H,41,42)(H,43,44,45)/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1 |
| InChIKey | WSMJRNOZKLNLOR-DLCGLXBKSA-N |
| Mol Weight | 712.9 g/mol |
| Molecular Formula | C36H56O12S |
| Exact Mass | 712.349248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5BfD4SYhP8 |
|---|---|
| Name | 3-O-[BETA-D-2-O-SULPHONYLQUINOVOPYRANOSYL]-QUINOVIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12S |
| InChI | InChI=1S/C36H56O12S/c1-18-10-15-35(30(39)40)16-17-36(31(41)42)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)47-29-28(48-49(43,44)45)27(38)26(37)20(3)46-29/h8,18-20,22-29,37-38H,9-17H2,1-7H3,(H,39,40)(H,41,42)(H,43,44,45)/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1 |
| InChIKey | WSMJRNOZKLNLOR-DLCGLXBKSA-N |
| Literature Reference Author | K.POELLMANN,S.GAGEL,M.H.A.ELGAMAL,K.H.SHAKER,K.SEIFERT |
| Literature Reference Citation | PHYTOCHEM.,44,485(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00552-3 |
| Molecular Weight | 712.893 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA142 |