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Cyclonona[c]pyran-11-carboxaldehyde, 5-(acetyloxy)-1,3,4,4a,5,6,9,11a-octahydro-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-, [4S-(4R*,4aS*,5R*,7E,10E,11aS*)]-

View entire compound with spectra: 1 MS (GC)

Cyclonona[c]pyran-11-carboxaldehyde, 5-(acetyloxy)-1,3,4,4a,5,6,9,11a-octahydro-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-, [4S-(4R*,4aS*,5R*,7E,10E,11aS*)]-
SpectraBase Compound ID 7JlKo0KW2lA
InChI InChI=1S/C22H30O5/c1-14(2)7-5-10-18-13-26-22(25)21-17(12-23)9-6-8-15(3)11-19(20(18)21)27-16(4)24/h7-9,12,18-21H,5-6,10-11,13H2,1-4H3/b15-8-,17-9-/t18-,19+,20+,21+/m1/s1
InChIKey RWAMJZAECBKRKI-ZBACEJKGSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRVP3VrnktK
Name Cyclonona[c]pyran-11-carboxaldehyde, 5-(acetyloxy)-1,3,4,4a,5,6,9,11a-octahydro-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-, [4S-(4R*,4aS*,5R*,7E,10E,11aS*)]-
CAS Registry Number 133585-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-14(2)7-5-10-18-13-26-22(25)21-17(12-23)9-6-8-15(3)11-19(20(18)21)27-16(4)24/h7-9,12,18-21H,5-6,10-11,13H2,1-4H3/b15-8-,17-9-/t18-,19+,20+,21+/m1/s1
InChIKey RWAMJZAECBKRKI-ZBACEJKGSA-N
Molecular Weight 374.477 g/mol
SMILES [C@]12(C(OC[C@]([C@]1([C@@](OC(=O)C)(C\C(C)=C/C\C=C/2C=O)[H])[H])(CCC=C(C)C)[H])=O)[H]
SPLASH splash10-0006-9210000000-d52e3500cc3d7d2284ae
Source of Spectrum F-47-1409-9
Synonyms (2R,3R,4S,6E,9E,10R)-4-acetoxy-17,4-hydroxyxenic-6,9,13-trien-1-al-18-oic acid lactone (4S,4aR,5S,11aR)-11-formyl-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-1,3,4,4a,5,6,9,11a-octahydrocyclonona[c]pyran-5-yl acetate
Wiley ID 1356757