| SpectraBase Spectrum ID |
F7PZmFbPj1T |
| Name |
6'-Aminomethylnicotinic acid 20-oxopregna-5-en-3.beta.-yl ester dihydrochloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H39ClN2O3 |
| InChI |
InChI=1S/C28H38N2O3.ClH/c1-17(31)23-8-9-24-22-7-5-19-14-21(33-26(32)18-4-6-20(15-29)30-16-18)10-12-27(19,2)25(22)11-13-28(23,24)3;/h4-6,16,21-25H,7-15,29H2,1-3H3;1H/t21-,22-,23+,24-,25-,27-,28+;/m0./s1 |
| InChIKey |
YNYDQWXXJNFRPT-HGEMSOPXSA-N |
| Molecular Weight |
487.084 g/mol |
| SMILES |
Cl.NCc1ccc(C(O[C@]2(CC[C@@]3([C@]4([H])[C@]([H])([C@@]5([H])[C@](C)(CC4)[C@@](C(C)=O)(CC5)[H])CC=C3C2)C)[H])=O)cn1 |
| SPLASH |
splash10-0006-9010000000-4bbb9fd08506a47db2de |
| Source of Spectrum |
CMC-2-339-3c |
| Synonyms |
(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-(aminomethyl)nicotinate hydrochloride |
| Wiley ID |
1771462 |
