| SpectraBase Compound ID | 4NjXSxgKXZS |
|---|---|
| InChI | InChI=1S/C36H45ClN6O12/c1-8-17(5)25-32(51)38-20(15-23(45)46)34(53)42(7)26(27(47)18-13-19(37)28(48)22(44)14-18)33(52)39-24(16(3)4)31(50)41-29(36(6,55)9-2)35(54)43-12-10-11-21(43)30(49)40-25/h10-11,13-15,21,24,26-27,29,44,47-48,55H,3,8-9,12H2,1-2,4-7H3,(H,38,51)(H,39,52)(H,40,49)(H,41,50)(H,45,46)/b20-15+,25-17+ |
| InChIKey | SXYYHMMAHUAZMC-LTHPOZSPSA-N |
| Mol Weight | 789.2 g/mol |
| Molecular Formula | C36H45ClN6O12 |
| Exact Mass | 788.278399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8Un9IlF17D |
|---|---|
| Name | Phomopsin A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H45ClN6O12 |
| InChI | InChI=1S/C36H45ClN6O12/c1-8-17(5)25-32(51)38-20(15-23(45)46)34(53)42(7)26(27(47)18-13-19(37)28(48)22(44)14-18)33(52)39-24(16(3)4)31(50)41-29(36(6,55)9-2)35(54)43-12-10-11-21(43)30(49)40-25/h10-11,13-15,21,24,26-27,29,44,47-48,55H,3,8-9,12H2,1-2,4-7H3,(H,38,51)(H,39,52)(H,40,49)(H,41,50)(H,45,46)/b20-15+,25-17+ |
| InChIKey | SXYYHMMAHUAZMC-LTHPOZSPSA-N |
| Instrument Name | Finnigan 4021 |
| Literature Reference | C.C. Culvenor, P.A. Cockrum, P.S.Steyn, J. Chem. Soc. Chem. Comm. 1259 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |