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Cyclodeca[b]furan-2,4-dione, 7-(benzoyloxy)-3,3a,7,8,11,11a-hexahydro-6,10-dimethyl-, [3aR-(3aR*,5Z,7R*,9E,11aR*)]-
SpectraBase Compound ID 4fHAoY1W0Ar
InChI InChI=1S/C21H22O5/c1-13-8-9-18(26-21(24)15-6-4-3-5-7-15)14(2)11-17(22)16-12-20(23)25-19(16)10-13/h3-8,11,16,18-19H,9-10,12H2,1-2H3/b13-8+,14-11-/t16-,18+,19+/m0/s1
InChIKey PNKSDHGATIIVJF-MUCNWBLXSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37Hja9Ji7UB
Name Cyclodeca[b]furan-2,4-dione, 7-(benzoyloxy)-3,3a,7,8,11,11a-hexahydro-6,10-dimethyl-, [3aR-(3aR*,5Z,7R*,9E,11aR*)]-
Alternate Name(s) (3aR,7R,11aR)-6,10-dimethyl-2,4-dioxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-7-yl benzoate (3R,7R,8R,1(10)e,4Z)-3-benzoyloxy-6-oxo-13-nor-1(10),4-germacradieno-12,8-lactone
CAS Registry Number 121124-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-13-8-9-18(26-21(24)15-6-4-3-5-7-15)14(2)11-17(22)16-12-20(23)25-19(16)10-13/h3-8,11,16,18-19H,9-10,12H2,1-2H3/b13-8+,14-11-/t16-,18+,19+/m0/s1
InChIKey PNKSDHGATIIVJF-MUCNWBLXSA-N
Molecular Weight 354.402 g/mol
SMILES [C@]12([C@](OC(C2)=O)(C\C(=C\C[C@@](OC(=O)c2ccccc2)(\C(=C/C1=O)C)[H])C)[H])[H]
SPLASH splash10-0a4i-0910000000-b7a91c775b17a5fe3c23
Source of Spectrum AJ-61-1210-3
Wiley ID 1344684