| SpectraBase Compound ID | 9W3eVXB0x8s |
|---|---|
| InChI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17-,18-,19-/m1/s1 |
| InChIKey | BLGXFZZNTVWLAY-JESAGEAFSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C21H26N2O3 |
| Exact Mass | 354.194343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CtLn1jjnVJ4 |
|---|---|
| Name | (+-)-3-epi-17-epi-alloyohimbine |
| Alternate Name(s) | (1R,2R,4aS,13bR,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquinolino[3,2-a]$b-carboline-1-carboxylic acid methyl ester Methyl (3beta,16alpha,17beta,20alpha)-17-hydroxyyohimban-16-carboxylate Methyl (1R,15S,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Methyl (1R,15S,18R,19R,20S)-18-oxidanyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O3 |
| InChI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17-,18-,19-/m1/s1 |
| InChIKey | BLGXFZZNTVWLAY-JESAGEAFSA-N |
| Molecular Weight | 354.450 g/mol |
| SMILES | [nH]1c2ccccc2c2c1[C@]1(C[C@@]3([C@]([C@@](CC[C@@]3(CN1CC2)[H])(O)[H])(C(=O)OC)[H])[H])[H] |
| SPLASH | splash10-0udi-0409000000-d9a82a337e9f5f8af458 |
| Source of Spectrum | J-56-2712-54 |
| Wiley ID | 1344783 |