| SpectraBase Compound ID | AzaRLMzBIJz |
|---|---|
| InChI | InChI=1S/C21H24N2O3/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/h2-5,12,15,17,19,22H,6-11H2,1H3 |
| InChIKey | XRPLBLPRUDFFCC-UHFFFAOYSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C21H24N2O3 |
| Exact Mass | 352.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AQXTwdrb1YX |
|---|---|
| Name | Yohimban-16-carboxylic acid, 17-oxo-, methyl ester, (16.alpha.)- |
| Alternate Name(s) | Methyl 17-oxoyohimban-16-carboxylate Yohimbinone 18-oxo-3,11,12,14,15,16,17,19,20,21-decahydro-1H-yohimban-19-carboxylic acid methyl ester Methyl 18-oxo-3,11,12,14,15,16,17,19,20,21-decahydro-1H-yohimban-19-carboxylate Methyl 18-oxidanylidene-3,11,12,14,15,16,17,19,20,21-decahydro-1H-yohimban-19-carboxylate |
| CAS Registry Number | 2671-57-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O3 |
| InChI | InChI=1S/C21H24N2O3/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/h2-5,12,15,17,19,22H,6-11H2,1H3 |
| InChIKey | XRPLBLPRUDFFCC-UHFFFAOYSA-N |
| Molecular Weight | 352.434 g/mol |
| SMILES | [nH]1c2C3CC4C(C(CCC4CN3CCc2c2ccccc12)=O)C(=O)OC |
| SPLASH | splash10-0udi-4719000000-c0721d7df66d8d9a7608 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1343395 |