| SpectraBase Compound ID | LlQ2L5bBlDC |
|---|---|
| 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+/m0/s1 |
| InChIKey | BLGXFZZNTVWLAY-MQPLHJKPSA-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 | DWneHF6KoEr |
|---|---|
| Name | Methyl (16alpha,17beta)-17-hydroxyyohimban-16-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+/m0/s1 |
| InChIKey | BLGXFZZNTVWLAY-MQPLHJKPSA-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-0319000000-857d987f40a704522da3 |
| Source of Spectrum | J-56-2712-9 |
| Synonyms | Methyl (1S,15R,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Methyl (1S,15R,18R,19R,20S)-18-oxidanyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Wiley ID | 1344781 |