| SpectraBase Compound ID | 5IVEDg2Ql0D |
|---|---|
| InChI | InChI=1S/C22H33NO6/c1-12(2)17(23-13(3)24)19(26)29-16-9-10-20(4,5)15-8-7-14-18(25)28-11-22(14,27)21(15,16)6/h7,12,15-17,27H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17-,21+,22+/m0/s1 |
| InChIKey | DFGYGTWTXGTQIC-FIOCPMRGSA-N |
| Mol Weight | 407.5 g/mol |
| Molecular Formula | C22H33NO6 |
| Exact Mass | 407.230788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Fq05O5Hh6b |
|---|---|
| Name | BERKEDRIMANE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33NO6 |
| InChI | InChI=1S/C22H33NO6/c1-12(2)17(23-13(3)24)19(26)29-16-9-10-20(4,5)15-8-7-14-18(25)28-11-22(14,27)21(15,16)6/h7,12,15-17,27H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17-,21+,22+/m0/s1 |
| InChIKey | DFGYGTWTXGTQIC-FIOCPMRGSA-N |
| Literature Reference Author | D.B.STIERLE,A.A.STIERLE,T.GIRTSMAN,K.MCINTYRE,J.NICHOLS |
| Literature Reference Citation | J.NAT.PROD.,75,262(2012) |
| Literature Reference DOI | 10.1021/np200528n |
| Molecular Weight | 407.507 g/mol |
| Sample ID | 40067 |
| Solvent | CDCl3 |