| SpectraBase Compound ID | LngsEem1ht2 |
|---|---|
| InChI | InChI=1S/C27H46N2/c1-17-5-10-25(29-16-17)18(2)22-8-9-23-21-7-6-19-15-20(28)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,29H,5,7-16,28H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | DHMOPSVHROLSFF-OWJFKGPJSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C27H46N2 |
| Exact Mass | 398.366099 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CgWr5zMyY0W |
|---|---|
| Name | (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46N2 |
| InChI | InChI=1S/C27H46N2/c1-17-5-10-25(29-16-17)18(2)22-8-9-23-21-7-6-19-15-20(28)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,29H,5,7-16,28H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | DHMOPSVHROLSFF-OWJFKGPJSA-N |
| Molecular Weight | 398.679 g/mol |
| SMILES | N[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@]([C@@]5(NC[C@](CC5)(C)[H])[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-052b-6922000000-11f56b343503d27802d1 |
| Source of Spectrum | G4-61-1392-1 |
| Synonyms | (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amine |
| Wiley ID | 1607531 |