| SpectraBase Compound ID | 3V99vkRUgXH |
|---|---|
| InChI | InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1 |
| InChIKey | JIEYWGGNJSSGDF-UWUFEASWSA-N |
| Mol Weight | 445.6 g/mol |
| Molecular Formula | C28H35N3O2 |
| Exact Mass | 445.272927 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F9e8D4StU2p |
|---|---|
| Name | 6-Methyl-8.beta.-benzyloxycarbonylaminomethyl-13-tert-butyl-ergoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H35N3O2 |
| InChI | InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1 |
| InChIKey | JIEYWGGNJSSGDF-UWUFEASWSA-N |
| Molecular Weight | 445.607 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H] |
| SPLASH | splash10-0007-8151900000-2a1ee8d6c01c78bb3236 |
| Source of Spectrum | EMC-32-803-26 |
| Synonyms | Benzyl (((6aR,9S,10aR)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)carbamate N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]carbamic acid (phenylmethyl) ester Benzyl N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]carbamate (phenylmethyl) N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]carbamate |
| Wiley ID | 1734376 |