| SpectraBase Compound ID | FOAWNsNcDFk |
|---|---|
| InChI | InChI=1S/C32H47N5O6/c1-7-20(4)27(33-5)30(39)35-23(17-19(2)3)31(40)37-16-13-26-28(37)32(41)36-15-8-9-24(36)29(38)34-14-12-21-18-22(43-26)10-11-25(21)42-6/h10-12,14,18-20,23-24,26-28,33H,7-9,13,15-17H2,1-6H3,(H,34,38)(H,35,39)/b14-12-/t20?,23-,24-,26-,27-,28-/m0/s1 |
| InChIKey | GCZZRQYOCDTZLA-AGOARZQMSA-N |
| Mol Weight | 597.8 g/mol |
| Molecular Formula | C32H47N5O6 |
| Exact Mass | 597.352634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EuzPyGPzkoY |
|---|---|
| Name | Ziziphine o |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 597.352634247 u |
| Formula | C32H47N5O6 |
| InChI | InChI=1S/C32H47N5O6/c1-7-20(4)27(33-5)30(39)35-23(17-19(2)3)31(40)37-16-13-26-28(37)32(41)36-15-8-9-24(36)29(38)34-14-12-21-18-22(43-26)10-11-25(21)42-6/h10-12,14,18-20,23-24,26-28,33H,7-9,13,15-17H2,1-6H3,(H,34,38)(H,35,39)/b14-12-/t20?,23-,24-,26-,27-,28-/m0/s1 |
| InChIKey | GCZZRQYOCDTZLA-AGOARZQMSA-N |
| Molecular Weight | 597.757 g/mol |
| SMILES | [C@@]12(N(CC[C@@]1(OC=1C=C(\C=C/NC([C@]3(N(C2=O)CCC3)[H])=O)C(=CC1)OC)[H])C([C@@](NC([C@@](NC)(C(CC)C)[H])=O)(CC(C)C)[H])=O)[H] |