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4a.alpha.,4b.beta.-Gibb-3-ene-1.alpha.,10.beta.-dicarboxylic acid, 2.beta.,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester
SpectraBase Compound ID EYbHHhRl585
InChI InChI=1S/C20H24O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h6-7,11-15,21H,1,4-5,8-9H2,2-3H3/t11?,12?,13-,14?,15?,18+,19?,20+/m1/s1
InChIKey PVIQXTWXWOHHFV-XXPZCLLJSA-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 CDdB4Bs3NMb
Name 4a.alpha.,4b.beta.-Gibb-3-ene-1.alpha.,10.beta.-dicarboxylic acid, 2.beta.,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester
Alternate Name(s) Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)-
CAS Registry Number 5508-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h6-7,11-15,21H,1,4-5,8-9H2,2-3H3/t11?,12?,13-,14?,15?,18+,19?,20+/m1/s1
InChIKey PVIQXTWXWOHHFV-XXPZCLLJSA-N
Molecular Weight 344.407 g/mol
SMILES O[C@]1([C@]2(C3C(C(OC)=O)C45C([C@@]3(OC2=O)C=C1)CCC(C5)C(C4)=C)C)[H]
SPLASH splash10-00e9-5980000000-f2e42fd42cb39b7e7891
Source of Spectrum AD-0-3342-0
Wiley ID 51187