| SpectraBase Compound ID | 1GeePfhKViX |
|---|---|
| InChI | InChI=1S/C22H33N3O4/c1-3-16-8-4-5-11-21(29-16)13-15-9-10-17-18(19(26)27)22(12-6-7-14(2)28-22)24-20(23-21)25(15)17/h4,8,14-18H,3,5-7,9-13H2,1-2H3,(H,23,24)(H,26,27)/t14-,15+,16-,17-,18-,21+,22-/m0/s1 |
| InChIKey | HLGCWRQIOSDKPN-UQAMWBFKSA-N |
| Mol Weight | 403.5 g/mol |
| Molecular Formula | C22H33N3O4 |
| Exact Mass | 403.247107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSHO6EERUEm |
|---|---|
| Name | CRAMBESCIDIN-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33N3O4 |
| InChI | InChI=1S/C22H33N3O4/c1-3-16-8-4-5-11-21(29-16)13-15-9-10-17-18(19(26)27)22(12-6-7-14(2)28-22)24-20(23-21)25(15)17/h4,8,14-18H,3,5-7,9-13H2,1-2H3,(H,23,24)(H,26,27)/t14-,15+,16-,17-,18-,21+,22-/m0/s1 |
| InChIKey | HLGCWRQIOSDKPN-UQAMWBFKSA-N |
| Literature Reference Author | K.M.MERAGELMAN,T.C.MCKEE,J.B.MCMAHON |
| Literature Reference Citation | J.NAT.PROD.,67,1165(2004) |
| Literature Reference DOI | 10.1021/np030434i |
| Molecular Weight | 403.522 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5571 |