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Aeginetic acid
SpectraBase Compound ID 91Rn1OdRIse
InChI InChI=1S/C15H24O4/c1-11(10-12(16)17)6-9-15(19)13(2,3)7-5-8-14(15,4)18/h6,9-10,18-19H,5,7-8H2,1-4H3,(H,16,17)/b9-6+,11-10+
InChIKey JJYFOQHXDGGLPW-GOKBKIRCSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9a4SZPXKVj
Name Aeginetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-11(10-12(16)17)6-9-15(19)13(2,3)7-5-8-14(15,4)18/h6,9-10,18-19H,5,7-8H2,1-4H3,(H,16,17)/b9-6+,11-10+
InChIKey JJYFOQHXDGGLPW-GOKBKIRCSA-N
Literature Reference DOI 10.1248/cpb.59.742
Molecular Weight 268.353 g/mol
SMILES OC(\C=C\(\C=C\C1(C(CCCC1(C)C)(C)O)O)C)=O
SPLASH splash10-0a4i-5920000000-7c1a3de777bec617739a
Source of Spectrum E1-59-745-arb1
Synonyms (2E,4E)-5-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-3-methylpenta-2,4-dienoic acid (2E,4E)-3-methyl-5-[2,2,6-trimethyl-1,6-bis(oxidanyl)cyclohexyl]penta-2,4-dienoic acid
Wiley ID 1743740