| SpectraBase Spectrum ID |
3iEwVFoo5lM |
| Name |
(+)-.beta.-hexahydrostepharine |
| CAS Registry Number |
112529-64-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,11,13-17,19H,5,8-10H2,1-2H3/t11?,13-,14?,15?,16?,17?/m0/s1 |
| InChIKey |
OEMDPHHPISUNDK-PCLAPDHRSA-N |
| Molecular Weight |
303.402 g/mol |
| SMILES |
N1CCC2C3C(C4(C[C@]13[H])C=CC(C=C4)=O)C(C(C2)OC)OC |
| SPLASH |
splash10-0udi-0049000000-d886471b919e3d83c3af |
| Source of Spectrum |
F-43-1764-7 |
| Synonyms |
(4'S)-10',11'-dimethoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0(4,12)]dodecane]-2,5-dien-4-one |
| Wiley ID |
1305722 |
