SpectraBase Spectrum ID |
ErqHsa6Aegf |
Name |
(3S,3aR,8aR,9aR)-3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl}-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H35ClN2O2 |
InChI |
InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13,20-22,24H,1,4-5,8-12,14-16H2,2-3H3/t20-,21?,22?,24-,26-/m1/s1 |
InChIKey |
YQZIRLKEPCVJRH-ZWTRHHTNSA-N |
Molecular Weight |
443.031 g/mol |
SMILES |
C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(Cl)ccc1C |
SPLASH |
splash10-00dl-9650000000-d82014a5b1998f2d5ee4 |
Synonyms |
3-[4-(5-chloro-2-methyl-phenyl)-piperazin-1-ylmethyl]-8a-methyl-5-methylene-decahydro-naphtho[2,3-b]furan-2-one |
Wiley ID |
1445081 |