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Cyclonona[c]pyran-3(1H)-one, 9-(acetyloxy)-4,4a,5,6,9,10,11,11a-octahydro-4-(4-hydroxy-4-methyl-2- pentenylidene)-7-methyl-11-methylene-
SpectraBase Compound ID 4mME9q9odYR
InChI InChI=1S/C22H30O5/c1-14-8-9-18-19(7-6-10-22(4,5)25)21(24)26-13-20(18)15(2)12-17(11-14)27-16(3)23/h6-7,10-11,17-18,20,25H,2,8-9,12-13H2,1,3-5H3/b10-6+,14-11-,19-7-
InChIKey MIUBWLINVIVHFT-OUSRLHDTSA-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 FKaiuC6yFLS
Name Cyclonona[c]pyran-3(1H)-one, 9-(acetyloxy)-4,4a,5,6,9,10,11,11a-octahydro-4-(4-hydroxy-4-methyl-2- pentenylidene)-7-methyl-11-methylene-
CAS Registry Number 71394-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-14-8-9-18-19(7-6-10-22(4,5)25)21(24)26-13-20(18)15(2)12-17(11-14)27-16(3)23/h6-7,10-11,17-18,20,25H,2,8-9,12-13H2,1,3-5H3/b10-6+,14-11-,19-7-
InChIKey MIUBWLINVIVHFT-OUSRLHDTSA-N
Molecular Weight 374.477 g/mol
SMILES OC(\C=C\C=C\1C2C(C(CC(OC(=O)C)\C=C/(CC2)C)=C)COC1=O)(C)C
SPLASH splash10-001i-0009000000-5f5a3a8718bc28584e8b
Source of Spectrum AN-88-77-0
Synonyms (4Z)-4-[(2E)-4-hydroxy-4-methyl-2-pentenylidene]-7-methyl-11-methylene-3-oxo-1,3,4,4a,5,6,9,10,11,11a-decahydrocyclonona[c]pyran-9-yl acetate 7,8-Oxido-isoxeniolide-a acetate
Wiley ID 1356752