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(1R,3S,6S)-6-[(1E,3E,5E,7E)-3,7-dimethyl-9-oxidanyl-nona-1,3,5,7-tetraenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

View entire compound with spectra: 1 MS (GC)

(1R,3S,6S)-6-[(1E,3E,5E,7E)-3,7-dimethyl-9-oxidanyl-nona-1,3,5,7-tetraenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SpectraBase Compound ID 9pQiaHv0923
InChI InChI=1S/C20H30O3/c1-15(7-6-8-16(2)10-12-21)9-11-20-18(3,4)13-17(22)14-19(20,5)23-20/h6-11,17,21-22H,12-14H2,1-5H3/b8-6+,11-9+,15-7+,16-10+/t17-,19+,20-/m0/s1
InChIKey RPTDLLAFTJHYPR-YTOQNLHGSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Hfhk7uLLKS
Name (1R,3S,6S)-6-[(1E,3E,5E,7E)-3,7-dimethyl-9-oxidanyl-nona-1,3,5,7-tetraenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Alternate Name(s) (1R,3S,6S)-6-[(1E,3E,5E,7E)-9-hydroxy-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CAS Registry Number 123393-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-15(7-6-8-16(2)10-12-21)9-11-20-18(3,4)13-17(22)14-19(20,5)23-20/h6-11,17,21-22H,12-14H2,1-5H3/b8-6+,11-9+,15-7+,16-10+/t17-,19+,20-/m0/s1
InChIKey RPTDLLAFTJHYPR-YTOQNLHGSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@@]1(C[C@@]2([C@](\C=C\C(=C\C=C\C(=C\CO)C)C)(C(C1)(C)C)O2)C)[H]
SPLASH splash10-0gb9-0029000000-5aa78aa692364b01d4bc
Source of Spectrum H-71-1992-5
Wiley ID 1318805