| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | APSdmhCkQOz |
|---|---|
| Name | Berkedrimane B |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np200528n |
| Molecular Weight | 407.507 g/mol |
| Optical Rotation | [a]25D = -15.3 (c = 0.0145, CHCl3) |
| Reported Formula | C22H33NO6 |
| SMILES | O[C@@]12[C@@]3([C@](C(CC[C@@]3(OC([C@](C(C)C)(NC(=O)C)[H])=O)[H])(C)C)(CC=C1C(OC2)=O)[H])C |
| SPLASH | splash10-0059-9040000000-3ee46da6b6cdad9a84c4 |
| Source of Spectrum | G4-75-265-1 |
| Wiley ID | 1854752 |