| SpectraBase Compound ID | IiiwWHfspDz |
|---|---|
| InChI | InChI=1S/C17H23NOS/c1-17-8-7-15-14-5-4-13(19-2)11-12(14)3-6-16(15)18(17)9-10-20-17/h4-5,11,15-16H,3,6-10H2,1-2H3/t15-,16+,17+/m1/s1 |
| InChIKey | QERVWSXUOBQQQR-IKGGRYGDSA-N |
| Mol Weight | 289.44 g/mol |
| Molecular Formula | C17H23NOS |
| Exact Mass | 289.150036 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hmry2PeLYxI |
|---|---|
| Name | (+-)-3-Methoxy-14-aza-17-thia-8-isoestra-1,3,5(10)-triene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H23NOS |
| InChI | InChI=1S/C17H23NOS/c1-17-8-7-15-14-5-4-13(19-2)11-12(14)3-6-16(15)18(17)9-10-20-17/h4-5,11,15-16H,3,6-10H2,1-2H3/t15-,16+,17+/m1/s1 |
| InChIKey | QERVWSXUOBQQQR-IKGGRYGDSA-N |
| Molecular Weight | 289.437 g/mol |
| SMILES | [C@]12(N(CCS2)[C@@]2([C@](CC1)(c1ccc(cc1CC2)OC)[H])[H])C |
| SPLASH | splash10-01pc-0490000000-5eadd4c7c88a7d014834 |
| Source of Spectrum | O1-32-843-1 |
| Synonyms | (4aS,10bR,12aS)-12a-methyl-2,3,5,6,10b,11,12,12a-octahydro-4aH-benzo[f][1,3]thiazolo[3,2-a]quinolin-8-yl methyl ether (4aS,10bR,12aS)-8-methoxy-12a-methyl-2,3,5,6,10b,11,12,12a-octahydro-4aH-benzo[f][1,3]thiazolo[3,2-a]quinoline (8S,9R,13S)-3-Methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-17-thia-14-aza-cyclopenta[a]phenanthrene |
| Wiley ID | 818973 |