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5,6,1'',2'',3'',4'',5'',6''-Octahydrozeylena

View entire compound with spectra: 1 MS (GC)

5,6,1'',2'',3'',4'',5'',6''-Octahydrozeylena
SpectraBase Compound ID hQ3E5NUYfz
InChI InChI=1S/C23H28O5/c24-20-19-16-11-12-23(20,13-27-21(25)15-9-5-2-6-10-15)18(17(16)22(26)28-19)14-7-3-1-4-8-14/h2,5-6,9-10,14,16-20,24H,1,3-4,7-8,11-13H2/t16-,17-,18-,19+,20-,23-/m0/s1
InChIKey RQXUZUFJQKLSFK-NTMURZLJSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6nlr9DWyPf
Name 5,6,1'',2'',3'',4'',5'',6''-Octahydrozeylena
Alternate Name(s) 5,6,1'',2'',3'',4'',5'',6''-octahydrozeylena [(1S,2R,3R)-10-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]dec-1-yl]methyl benzoate
CAS Registry Number 78804-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O5
InChI InChI=1S/C23H28O5/c24-20-19-16-11-12-23(20,13-27-21(25)15-9-5-2-6-10-15)18(17(16)22(26)28-19)14-7-3-1-4-8-14/h2,5-6,9-10,14,16-20,24H,1,3-4,7-8,11-13H2/t16-,17-,18-,19+,20-,23-/m0/s1
InChIKey RQXUZUFJQKLSFK-NTMURZLJSA-N
Molecular Weight 384.472 g/mol
SMILES O[C@]1([C@@]2(OC([C@@]3([C@@]([C@]1(CC[C@]23[H])COC(=O)c1ccccc1)(C1CCCCC1)[H])[H])=O)[H])[H]
SPLASH splash10-067i-4920000000-8d43d57c7297696934ae
Source of Spectrum J-46-4271-0
Wiley ID 1361737