| SpectraBase Compound ID | 3ayxG6GErdi |
|---|---|
| InChI | InChI=1S/C22H30O7S/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)19(25)15(12-23)20(14)29-30(26,27)28/h10-13,18,24-25H,5-9H2,1-4H3,(H,26,27,28)/b16-10+/t13-,18?,22+/m0/s1 |
| InChIKey | MMPODADSKBDMPK-QGKRBUCPSA-N |
| Mol Weight | 438.54 g/mol |
| Molecular Formula | C22H30O7S |
| Exact Mass | 438.171224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hi7kRU5ObuW |
|---|---|
| Name | SIPHONODICTYAL_B2 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O7S |
| InChI | InChI=1S/C22H30O7S/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)19(25)15(12-23)20(14)29-30(26,27)28/h10-13,18,24-25H,5-9H2,1-4H3,(H,26,27,28)/b16-10+/t13-,18?,22+/m0/s1 |
| InChIKey | MMPODADSKBDMPK-QGKRBUCPSA-N |
| Literature Reference Author | A.GRUBE,M.ASSMANN,E.LICHTE,F.SASSE,J.R.PAWLIK,M.KOECK |
| Literature Reference Citation | J.NAT.PROD.,70,504(2007) |
| Literature Reference DOI | 10.1021/np0603018 |
| Molecular Weight | 438.536 g/mol |
| Sample ID | 30067 |
| Solvent | DMSO-D6 |