| SpectraBase Compound ID | 6cjZ5ATwC8n |
|---|---|
| InChI | InChI=1S/C42H55N9O12/c1-21(2)34-40(61)50-35(22(3)54)41(62)45-28(16-24-17-43-27-8-5-4-7-26(24)27)37(58)46-29(15-23-10-12-25(55)13-11-23)42(63)51-14-6-9-32(51)39(60)48-31(20-53)38(59)47-30(19-52)36(57)44-18-33(56)49-34/h4-5,7-8,10-13,17,21-22,28-32,34-35,43,52-55H,6,9,14-16,18-20H2,1-3H3,(H,44,57)(H,45,62)(H,46,58)(H,47,59)(H,48,60)(H,49,56)(H,50,61)/t22?,28-,29-,30-,31-,32-,34-,35-/m0/s1 |
| InChIKey | VSHYTYFXNJETAG-FDMGRULISA-N |
| Mol Weight | 878.0 g/mol |
| Molecular Formula | C42H55N9O12 |
| Exact Mass | 877.397018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cdYCvKpQ7M |
|---|---|
| Name | YUNNANIN-F |
| Compound Number | 3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C42H55N9O12/c1-21(2)34-40(61)50-35(22(3)54)41(62)45-28(16-24-17-43-27-8-5-4-7-26(24)27)37(58)46-29(15-23-10-12-25(55)13-11-23)42(63)51-14-6-9-32(51)39(60)48-31(20-53)38(59)47-30(19-52)36(57)44-18-33(56)49-34/h4-5,7-8,10-13,17,21-22,28-32,34-35,43,52-55H,6,9,14-16,18-20H2,1-3H3,(H,44,57)(H,45,62)(H,46,58)(H,47,59)(H,48,60)(H,49,56)(H,50,61)/t22?,28-,29-,30-,31-,32-,34-,35-/m0/s1 |
| InChIKey | VSHYTYFXNJETAG-FDMGRULISA-N |
| Literature Reference | H.MORITA,T.KAYASHITA,M.SHIMOMURA,K.TAKEYA,H.ITOKAWA HETEROCYCLES,43,1279(1996) |
| Solvent | Pyridine-d5 |
| Technique | SELECTIVE DECOUPLING; C/H SHIFT CORRELATION |