SpectraBase Spectrum ID |
9mz7tvIEjUV |
Name |
(3aR,8aR,9aR)-3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H36N2O4 |
InChI |
InChI=1S/C27H36N2O4/c1-18-4-3-7-27(2)14-25-20(13-22(18)27)21(26(30)33-25)16-29-10-8-28(9-11-29)15-19-5-6-23-24(12-19)32-17-31-23/h5-6,12,20-21,25H,3-4,7-11,13-17H2,1-2H3/t20-,21?,25-,27-/m1/s1 |
InChIKey |
IACWTIIFAZUYBT-JOMNBINVSA-N |
Molecular Weight |
452.595 g/mol |
SMILES |
C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CCN(CC1)Cc1cc2OCOc2cc1 |
SPLASH |
splash10-052r-8920000000-4203d3acae8d3edb6209 |
Synonyms |
(3aR,8aR,9aR)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
(3aR,8aR,9aR)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
(3aR,8aR,9aR)-5,8a-dimethyl-3-[(4-piperonylpiperazino)methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
Wiley ID |
1445083 |