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(6E,7S)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]-1,7a-dihydrocyclopenta[c]pyran-5-carboxylic acid methyl ester
SpectraBase Compound ID E9n7vyovc4I
InChI InChI=1S/C22H32O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-12,14,18,25H,6-10,13H2,1-5H3/b17-12+/t14-,18?,22+/m0/s1
InChIKey ZSIVCMRKIFUXRS-MUYSIRPJSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6XcnnCa90q
Name (6E,7S)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]-1,7a-dihydrocyclopenta[c]pyran-5-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-12,14,18,25H,6-10,13H2,1-5H3/b17-12+/t14-,18?,22+/m0/s1
InChIKey ZSIVCMRKIFUXRS-MUYSIRPJSA-N
Molecular Weight 376.493 g/mol
SMILES O[C@@]1(\C(C(=C2C=C(C)OCC12)C(=O)OC)=C\C(=O)[C@](CCCCCC)(C)[H])C
SPLASH splash10-03di-0090000000-80023646c4cb1cc7e861
Source of Spectrum G4-64-1353-4
Synonyms (6E,7S)-7-hydroxy-6-[(3S)-2-keto-3-methyl-nonylidene]-3,7-dimethyl-1,7a-dihydrocyclopenta[c]pyran-5-carboxylic acid methyl ester Methyl (6E,7S)-3,7-dimethyl-6-[(3S)-3-methyl-2-oxidanylidene-nonylidene]-7-oxidanyl-1,7a-dihydrocyclopenta[c]pyran-5-carboxylate Methyl (6E,7S)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxo-nonylidene]-1,7a-dihydrocyclopenta[c]pyran-5-carboxylate
Wiley ID 1609271