| SpectraBase Compound ID | L9l5BEK4qVK |
|---|---|
| InChI | InChI=1S/C21H31NO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h11,13-16,19H,4-10,22H2,1-3H3/t13-,14-,15-,16-,19-,20-,21-/m0/s1 |
| InChIKey | IRDCRAKVHWJQDB-FNIKZQHKSA-N |
| Mol Weight | 345.48 g/mol |
| Molecular Formula | C21H31NO3 |
| Exact Mass | 345.230394 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KF6uC9MX3wM |
|---|---|
| Name | 2-Oxo-3-amino-4'a,6'a-dimethyl-7-acetoxytetracyclo-heptadec-3-ene |
| Alternate Name(s) | Acetic acid [(5S,8R,9S,10S,13S,14S,17S)-2-amino-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester [(5S,8R,9S,10S,13S,14S,17S)-2-amino-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate [(5S,8R,9S,10S,13S,14S,17S)-2-azanyl-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31NO3 |
| InChI | InChI=1S/C21H31NO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h11,13-16,19H,4-10,22H2,1-3H3/t13-,14-,15-,16-,19-,20-,21-/m0/s1 |
| InChIKey | IRDCRAKVHWJQDB-FNIKZQHKSA-N |
| Molecular Weight | 345.483 g/mol |
| SMILES | NC1=C[C@@]2([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)(OC(=O)C)[H])[H])(CC[C@]2(CC1=O)[H])[H])[H])C |
| SPLASH | splash10-00bl-0509000000-904fe51f703aebd3654b |
| Source of Spectrum | U1-1998-2822-9 |
| Wiley ID | 752074 |