| SpectraBase Compound ID | GQOcpjMjIbE |
|---|---|
| InChI | InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18+,19+,20+,22+,23-,24+,25+,26+,29+,30-/m1/s1 |
| InChIKey | AQFATIOBERWBDY-MUYOHZAKSA-N |
| Mol Weight | 770.8 g/mol |
| Molecular Formula | C31H46O18S2 |
| Exact Mass | 770.212557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANKIuqLL0Ms |
|---|---|
| Name | CARBOXY-ATRACTYLOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O18S2 |
| InChI | InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18+,19+,20+,22+,23-,24+,25+,26+,29+,30-/m1/s1 |
| InChIKey | AQFATIOBERWBDY-MUYOHZAKSA-N |
| Literature Reference Author | J.K.MACLEOD,P.D.R.MOELLER,F.P.FRANKE |
| Literature Reference Citation | J.NAT.PROD.,53,451(1990) |
| Literature Reference DOI | 10.1021/np50068a025 |
| Molecular Weight | 770.815 g/mol |
| Solvent | Unknown |
| Source File Reference | UWED17116 |