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4,5,7,6,9,11a-Hexahydro-2,2,11-trimethyl-5-(phenylmethoxy)-4,10-methanocyclodeca-1,3-dioxol-6(3aH)-one
SpectraBase Compound ID CVnGdtMB5bK
InChI InChI=1S/C22H28O4/c1-14-16-10-7-11-18(23)20(24-13-15-8-5-4-6-9-15)17(12-16)21-19(14)25-22(2,3)26-21/h4-6,8-9,17,19-21H,7,10-13H2,1-3H3/t17-,19-,20+,21+/m0/s1
InChIKey QXIPTHPVAXXOLT-MJUUVYJYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rQLSmeOkEf
Name 4,5,7,6,9,11a-Hexahydro-2,2,11-trimethyl-5-(phenylmethoxy)-4,10-methanocyclodeca-1,3-dioxol-6(3aH)-one
Alternate Name(s) (1R,2R,6S,13R)-13-(benzyloxy)-4,4,7-trimethyl-3,5-dioxatricyclo[6.5.1.0(2,6)]tetradec-7-en-12-one 4,5,7,6,9,11a-Hexahydro-2,2,11-trimethyl-5-(phenylmethoxy)-9-methylene-4,10-methanocyclodeca-1,3-dioxol-6(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-14-16-10-7-11-18(23)20(24-13-15-8-5-4-6-9-15)17(12-16)21-19(14)25-22(2,3)26-21/h4-6,8-9,17,19-21H,7,10-13H2,1-3H3/t17-,19-,20+,21+/m0/s1
InChIKey QXIPTHPVAXXOLT-MJUUVYJYSA-N
Molecular Weight 356.462 g/mol
SMILES [C@@]12([C@@]3([C@@](OC(O3)(C)C)(C(=C(C1)CCCC([C@@]2(OCc1ccccc1)[H])=O)C)[H])[H])[H]
SPLASH splash10-0006-9300000000-6a406dd9e422987f28f9
Source of Spectrum B-57-51-34
Wiley ID 1551365