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[8S-(5.beta.,8.beta.,8a.beta.)]-1,2,3,5,6,7,8,8a-Octahydro-8-hydroxy-2,2-dimethyl-7-methylene-4,5-azulenedicarboxaldehyde
SpectraBase Compound ID EFadoylu6g3
InChI InChI=1S/C15H20O3/c1-8-4-9-12(7-16)10-5-15(2,3)6-11(10)13(8)18-14(9)17/h7,9,11,13-14,17H,1,4-6H2,2-3H3/t9-,11+,13+,14-/m0/s1
InChIKey CHXWDYQEOIJNQV-FRJFDASCSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9piK5T2bkD2
Name [8S-(5.beta.,8.beta.,8a.beta.)]-1,2,3,5,6,7,8,8a-Octahydro-8-hydroxy-2,2-dimethyl-7-methylene-4,5-azulenedicarboxaldehyde
CAS Registry Number 141315-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-4-9-12(7-16)10-5-15(2,3)6-11(10)13(8)18-14(9)17/h7,9,11,13-14,17H,1,4-6H2,2-3H3/t9-,11+,13+,14-/m0/s1
InChIKey CHXWDYQEOIJNQV-FRJFDASCSA-N
Molecular Weight 248.322 g/mol
SMILES O[C@@]1([C@@]2(C(=C3[C@]([C@](O1)(C(=C)C2)[H])(CC(C3)(C)C)[H])C=O)[H])[H]
SPLASH splash10-0k96-5290000000-a85d183edc397da950f4
Source of Spectrum J-57-3827-21
Synonyms (1S,2R,8S)-9-Hydroxy-4,4-dimethyl-11-methylene-10-oxa-tricyclo[6.2.2.0*2,6*]dodec-6-ene-7-carbaldehyde (5S,8S,8aR)-8-hydroxy-2,2-dimethyl-7-methylene-1,2,3,5,6,7,8,8a-octahydro-4,5-azulenedicarbaldehyde
Wiley ID 1251440