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Mesembrenone
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)

Mass Spectrum (GC)

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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