![(3aR,8aR,9aR)-3-[(4-benzyl-1-piperidyl)methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one](/api/spectrum/5P882PvIrAx/structure.png?h=300&w=458 "(3aR,8aR,9aR)-3-[(4-benzyl-1-piperidyl)methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one")
| SpectraBase Compound ID | GkOJ8Kzropm |
|---|---|
| InChI | InChI=1S/C27H37NO2/c1-19-7-6-12-27(2)17-25-22(16-24(19)27)23(26(29)30-25)18-28-13-10-21(11-14-28)15-20-8-4-3-5-9-20/h3-5,8-9,21-23,25H,6-7,10-18H2,1-2H3/t22-,23?,25-,27-/m1/s1 |
| InChIKey | AASBORAVPLVJOH-STBCPGIKSA-N |
| Mol Weight | 407.6 g/mol |
| Molecular Formula | C27H37NO2 |
| Exact Mass | 407.282429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5P882PvIrAx |
|---|---|
| Name | (3aR,8aR,9aR)-3-[(4-benzyl-1-piperidyl)methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
| Alternate Name(s) | (3aR,8aR,9aR)-3-[(4-benzylpiperidin-1-yl)methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[(4-benzylpiperidino)methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-5,8a-dimethyl-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-5,8a-dimethyl-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H37NO2 |
| InChI | InChI=1S/C27H37NO2/c1-19-7-6-12-27(2)17-25-22(16-24(19)27)23(26(29)30-25)18-28-13-10-21(11-14-28)15-20-8-4-3-5-9-20/h3-5,8-9,21-23,25H,6-7,10-18H2,1-2H3/t22-,23?,25-,27-/m1/s1 |
| InChIKey | AASBORAVPLVJOH-STBCPGIKSA-N |
| Molecular Weight | 407.598 g/mol |
| SMILES | C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CCC(Cc2ccccc2)CC1 |
| SPLASH | splash10-000l-7900000000-3fceb7b191fa55f0b066 |
| Wiley ID | 1445086 |