| SpectraBase Compound ID | 89i9WJ0K7Ir |
|---|---|
| InChI | InChI=1S/C29H49N/c1-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30-7)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,10,12-18H2,1-7H3/b9-8+/t20-,21+,22-,23+,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | KGOHWUCDOBGHCJ-FDMDADQNSA-N |
| Mol Weight | 411.7 g/mol |
| Molecular Formula | C29H49N |
| Exact Mass | 411.386501 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4MNs6TpkvhH |
|---|---|
| Name | (3.alpha.)-Methylaminoergosta-7,22E-diene |
| Alternate Name(s) | (3R,5S,9R,10S,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-N,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine (3R,5S,9R,10S,13R,14R,17R)-N,10,13-trimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine (3R,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-N,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49N |
| InChI | InChI=1S/C29H49N/c1-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30-7)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,10,12-18H2,1-7H3/b9-8+/t20-,21+,22-,23+,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | KGOHWUCDOBGHCJ-FDMDADQNSA-N |
| Molecular Weight | 411.718 g/mol |
| SMILES | N([C@]1(C[C@]2([C@@]([C@@]3(C([C@]4([C@@]([C@@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])(CC4)[H])(CC3)C)[H])=CC2)[H])(CC1)C)[H])[H])C |
| SPLASH | splash10-022a-8029800000-a36d0d98ff360b9c37bc |
| Source of Spectrum | F-70-1088-12 |
| Wiley ID | 1742430 |