| SpectraBase Compound ID | CrE5Z1aJW80 |
|---|---|
| InChI | InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1 |
| InChIKey | HDNHBCSWFYFPAN-IRXDYDNUSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C17H21NO3 |
| Exact Mass | 287.152144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8A2yp63G8wf |
|---|---|
| Name | (+)-Mesembrenone |
| CAS Registry Number | 468-54-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21NO3 |
| InChI | InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1 |
| InChIKey | HDNHBCSWFYFPAN-IRXDYDNUSA-N |
| Molecular Weight | 287.359 g/mol |
| SMILES | [C@@]12([C@@](N(C)CC2)(CC(C=C1)=O)[H])c1cc(OC)c(cc1)OC |
| SPLASH | splash10-00di-9080000000-b4de731f59c7beef5994 |
| Source of Spectrum | O-11-8-3 |
| Synonyms | 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-, (3aR-cis)- (3aR,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-1,2,3,3a,7,7a-hexahydro-6H-indol-6-one (3aR,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol-6-one 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-6H-indol-6-one (3aR-cis)- Mesembrenone |
| Wiley ID | 1290882 |