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Propanoic acid, 2-methyl-, 6-formyl-2,3,3a,4,5,8,9,10,11,11a-decahydro-3a-hydroxy-10-methyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester, [3aR-(3aR*,4R*,6E,10S*,11aR*)]-
SpectraBase Compound ID FgVMVXKkAs5
InChI InChI=1S/C19H24O7/c1-10(2)17(22)25-16-8-13(9-20)5-6-14(21)11(3)7-15-19(16,24)12(4)18(23)26-15/h5,9-11,15-16,24H,4,6-8H2,1-3H3/b13-5+/t11-,15+,16+,19+/m0/s1
InChIKey IHCCCUHMLMFUIF-HHUPBJJISA-N
Mol Weight 364.39 g/mol
Molecular Formula C19H24O7
Exact Mass 364.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2IXc5Vt0pE
Name Propanoic acid, 2-methyl-, 6-formyl-2,3,3a,4,5,8,9,10,11,11a-decahydro-3a-hydroxy-10-methyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester, [3aR-(3aR*,4R*,6E,10S*,11aR*)]-
CAS Registry Number 88555-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O7
InChI InChI=1S/C19H24O7/c1-10(2)17(22)25-16-8-13(9-20)5-6-14(21)11(3)7-15-19(16,24)12(4)18(23)26-15/h5,9-11,15-16,24H,4,6-8H2,1-3H3/b13-5+/t11-,15+,16+,19+/m0/s1
InChIKey IHCCCUHMLMFUIF-HHUPBJJISA-N
Molecular Weight 364.394 g/mol
SMILES O[C@@]12C(C(=O)O[C@@]2(C[C@@](C(=O)C\C=C/(C[C@]1(OC(=O)C(C)C)[H])C=O)(C)[H])[H])=C
SPLASH splash10-05i0-4091000000-13a0f52d02db2964c876
Source of Spectrum F-39-2845-0
Synonyms (3aR,4R,10S,11aR)-6-formyl-3a-hydroxy-10-methyl-3-methylene-2,9-dioxo-2,3,3a,4,5,8,9,10,11,11a-decahydrocyclodeca[b]furan-4-yl 2-methylpropanoate Cyclodeca[b]furan, propanoic acid deriv. Formyl, hydroxy derivative of dideoxytagitinin A
Wiley ID 1350705