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 |
SpectraBase Spectrum ID | LvHmaBK2SgK |
---|---|
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 | splash10-00dl-9110000000-4b45869f855b95f171f7 |
Source of Spectrum | X2-52-480-1 |
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 | 1603082 |