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2,4-Octadienoic acid, 6-methyl-, 1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxo-2-naphthalenyl ester, [1R-[1.alpha.,2.alpha.(2E,4E,6S*),7.beta.,8a.alpha.]]-
SpectraBase Compound ID 7gmanre8Aer
InChI InChI=1S/C21H28O4/c1-5-14(2)8-6-7-9-20(24)25-19-11-10-16-12-17(22)18(23)13-21(16,4)15(19)3/h6-12,14-15,18-19,23H,5,13H2,1-4H3/b8-6+,9-7+/t14-,15+,18-,19+,21-/m0/s1
InChIKey UVMPFBSXKCZAGL-PGMJKNKVSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46SeW3k7BFk
Name 2,4-Octadienoic acid, 6-methyl-, 1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxo-2-naphthalenyl ester, [1R-[1.alpha.,2.alpha.(2E,4E,6S*),7.beta.,8a.alpha.]]-
CAS Registry Number 121661-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-5-14(2)8-6-7-9-20(24)25-19-11-10-16-12-17(22)18(23)13-21(16,4)15(19)3/h6-12,14-15,18-19,23H,5,13H2,1-4H3/b8-6+,9-7+/t14-,15+,18-,19+,21-/m0/s1
InChIKey UVMPFBSXKCZAGL-PGMJKNKVSA-N
Molecular Weight 344.451 g/mol
SMILES O[C@@]1(C(=O)C=C2[C@@](C1)([C@@]([C@@](C=C2)(OC(\C=C\C=C\[C@](CC)(C)[H])=O)[H])(C)[H])C)[H]
SPLASH splash10-004j-0900000000-4133c72d1549732ef98c
Source of Spectrum H-72-443-0
Synonyms (+)-(1R*,2S*,7R*,8aR*)-1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxonaphthalen-2-yl (6S-2e,4E)-6-methylocta-2,4-dienoate (1S,2R,7S,8aS)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,6,7,8,8a-hexahydro-2-naphthalenyl (2E,4E,6S)-6-methyl-2,4-octadienoate Dendryphiellin C
Wiley ID 1338126