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4a.alpha.,4b.beta.-Gibb-2-ene-1.alpha.,10.beta.-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester
SpectraBase Compound ID 7IP8TYZriEv
InChI InChI=1S/C20H24O5/c1-11-9-18-10-19(11,23)8-5-12(18)20-7-4-6-17(2,16(22)25-20)14(20)13(18)15(21)24-3/h4,6,12-14,23H,1,5,7-10H2,2-3H3/t12?,13?,14?,17-,18?,19?,20-/m0/s1
InChIKey KIAZKTCYLHEASA-HCZGRDEISA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bTFfGXWPbb
Name 4a.alpha.,4b.beta.-Gibb-2-ene-1.alpha.,10.beta.-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester
Alternate Name(s) Gibb-2-ene-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1.alpha.,4a.alpha.,4b.beta.,10.beta.)- GA5 methyl ester
CAS Registry Number 15355-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-11-9-18-10-19(11,23)8-5-12(18)20-7-4-6-17(2,16(22)25-20)14(20)13(18)15(21)24-3/h4,6,12-14,23H,1,5,7-10H2,2-3H3/t12?,13?,14?,17-,18?,19?,20-/m0/s1
InChIKey KIAZKTCYLHEASA-HCZGRDEISA-N
Molecular Weight 344.407 g/mol
SMILES OC12CC3(C(C(OC)=O)C4[C@]5(C3CC1)OC([C@@]4(C)C=CC5)=O)CC2=C
SPLASH splash10-052f-6941000000-34f5e9760713222d7c1f
Source of Spectrum AD-0-3340-0
Wiley ID 51186