| SpectraBase Compound ID | 3U3PjH1PPOU |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,24)15-23-13-14-23/h16-19,24H,3-15H2,1-2H3/t16?,17?,18?,19?,20-,21-,22+/m0/s1 |
| InChIKey | YAZNTOPQJPATQT-WZIGSZMUSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I7BtmmRjkJW |
|---|---|
| Name | 17-(1-Aziridinylmethyl)androstan-17-ol |
| CAS Registry Number | 122850-87-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,24)15-23-13-14-23/h16-19,24H,3-15H2,1-2H3/t16?,17?,18?,19?,20-,21-,22+/m0/s1 |
| InChIKey | YAZNTOPQJPATQT-WZIGSZMUSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | O[C@@]1([C@@]2(C(C3CCC4[C@](C3CC2)(C)CCCC4)CC1)C)CN1CC1 |
| SPLASH | splash10-0a4i-9410000000-22f70ad8f09e308f8976 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | (10S,13S,17S)-17-(1-aziridinylmethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol (10S,13S,17S)-17-(aziridin-1-ylmethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol (10S,13S,17S)-17-(ethyleniminomethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol 17-.alpha.-(1-Aziridinylmethyl)-5-.alpha.-androstan-17-.beta.-ol |
| Wiley ID | 1432150 |