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(3R,3aS,4S)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate

View entire compound with spectra: 1 MS (GC)

(3R,3aS,4S)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate
SpectraBase Compound ID GuzFJAdGDHF
InChI InChI=1S/C23H32O4/c1-15(2)23(25)13-12-22(4)11-10-16(3)14-19(20(22)23)27-21(24)17-6-8-18(26-5)9-7-17/h6-10,15,19-20,25H,11-14H2,1-5H3/t19-,20+,22?,23+/m0/s1
InChIKey PLWGJLHNBNMJOH-STSXZUBPSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9kQDjQjlao
Name (3R,3aS,4S)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-15(2)23(25)13-12-22(4)11-10-16(3)14-19(20(22)23)27-21(24)17-6-8-18(26-5)9-7-17/h6-10,15,19-20,25H,11-14H2,1-5H3/t19-,20+,22?,23+/m0/s1
InChIKey PLWGJLHNBNMJOH-STSXZUBPSA-N
Molecular Weight 372.505 g/mol
SMILES O[C@@]1([C@@]2([C@@](OC(c3ccc(cc3)OC)=O)(CC(C)=CCC2(CC1)C)[H])[H])C(C)C
SPLASH splash10-000i-8910000000-8fa8aedcee4afc5b1b60
Synonyms 4-Methoxy-benzoic acid 3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-azulen-4-yl ester 4-Methoxybenzoic acid[(3R,3aS,4S)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl]ester 4-Methoxybenzoic acid[(3R,3aS,4S)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl]ester [(3R,3aS,4S)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl]4-methoxybenzoate [(3R,3aS,4S)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl]4-methoxybenzoate [(3R,3aS,4S)-6,8a-dimethyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl]4-methoxybenzoate 4-Methoxybenzoic acid [(3R,3aS,4S)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester [(3R,3aS,4S)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate [(3R,3aS,4S)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate [(3R,3aS,4S)-6,8a-dimethyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate
Wiley ID 1442412