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(6R,7S,7aS)-6-hydroxy-7-[(1Z,3E,5S)-5-hydroxy-2-methyl-dodeca-1,3-dienyl]-1,6,7,7a-tetrahydroinden-5-one
SpectraBase Compound ID L2FJCV2b4wr
InChI InChI=1S/C22H32O3/c1-3-4-5-6-7-10-18(23)13-12-16(2)14-20-19-11-8-9-17(19)15-21(24)22(20)25/h8-9,12-15,18-20,22-23,25H,3-7,10-11H2,1-2H3/b13-12+,16-14-/t18-,19+,20-,22+/m0/s1
InChIKey COBSXLQCUDCOES-YEODYQQJSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ax5y5OlpyvZ
Name (6R,7S,7aS)-6-hydroxy-7-[(1Z,3E,5S)-5-hydroxy-2-methyl-dodeca-1,3-dienyl]-1,6,7,7a-tetrahydroinden-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-3-4-5-6-7-10-18(23)13-12-16(2)14-20-19-11-8-9-17(19)15-21(24)22(20)25/h8-9,12-15,18-20,22-23,25H,3-7,10-11H2,1-2H3/b13-12+,16-14-/t18-,19+,20-,22+/m0/s1
InChIKey COBSXLQCUDCOES-YEODYQQJSA-N
Molecular Weight 344.495 g/mol
SMILES O[C@]1(C(C=C2[C@]([C@@]1(\C=C/(\C=C\[C@@](O)(CCCCCCC)[H])C)[H])(CC=C2)[H])=O)[H]
SPLASH splash10-0a4i-0910000000-44eb75bfa4af6264f784
Source of Spectrum F-55-14365-8
Synonyms (6R,7S,7aS)-7-[(1Z,3E,5S)-2-methyl-5-oxidanyl-dodeca-1,3-dienyl]-6-oxidanyl-1,6,7,7a-tetrahydroinden-5-one
Wiley ID 840012