| SpectraBase Compound ID | 1eBZWgTXuOA |
|---|---|
| InChI | InChI=1S/C34H44O22S/c1-57-34(48)52-6-11-3-15(38)21-13(8-51-31(19(11)21)56-32-26(43)24(41)22(39)16(5-36)53-32)29(47)49-9-17-23(40)25(42)27(44)33(54-17)55-30-18-10(4-35)2-14(37)20(18)12(7-50-30)28(45)46/h2-3,7-8,14-27,30-33,35-44H,4-6,9H2,1H3,(H,45,46)/t14-,15-,16-,17-,18?,19?,20?,21?,22-,23-,24+,25+,26-,27-,30-,31-,32+,33+/m0/s1 |
| InChIKey | VATYFHYJIYHADX-BHPCFOIXSA-N |
| Mol Weight | 836.8 g/mol |
| Molecular Formula | C34H44O22S |
| Exact Mass | 836.204494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzdEbQEb378 |
|---|---|
| Name | SAPROSMOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44O22S |
| InChI | InChI=1S/C34H44O22S/c1-57-34(48)52-6-11-3-15(38)21-13(8-51-31(19(11)21)56-32-26(43)24(41)22(39)16(5-36)53-32)29(47)49-9-17-23(40)25(42)27(44)33(54-17)55-30-18-10(4-35)2-14(37)20(18)12(7-50-30)28(45)46/h2-3,7-8,14-27,30-33,35-44H,4-6,9H2,1H3,(H,45,46)/t14-,15-,16-,17-,18?,19?,20?,21?,22-,23-,24+,25+,26-,27-,30-,31-,32+,33+/m0/s1 |
| InChIKey | VATYFHYJIYHADX-BHPCFOIXSA-N |
| Literature Reference Author | S.K.LING,A.KOMORITA,T.TANAKA,T.FUJIOKA,K.MIHASHI,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,65,656(2002) |
| Literature Reference DOI | 10.1021/np010479o |
| Molecular Weight | 836.770 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4145 |