4-Hydroxy-5,8-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,4a,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl 3-methyl-2-butenoate

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Systematic / IUPAC Name: 4-Hydroxy-5,8-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,4a,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl 3-methyl-2-butenoate

ID: Reference7425

Other Names: 2-Butenoic acid, 3-methyl-, 2,3,3a,4,4a,7,9,9a-octahydro-4-hydroxy-5,8-dimethyl-3-methylene-2,7-dioxoazuleno[6,5-b]furan-9-yl ester

Formula: C20H22O6

Spectral Data

4-Hydroxy-5,8-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,4a,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl 3-methyl-2-butenoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 3
No. of Spectra 9836
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2018 9:59:56 AM
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Identificators

InChI InChI=1S/C20H22O6/c1-8(2)6-13(22)25-18-10(4)15-12(21)7-9(3)14(15)17(23)16-11(5)20(24)26-19(16)18/h6-7,14,16-19,23H,5H2,1-4H3
InChI Key SNZHVLUQMJWWPN-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=O)C2=C(C(C3C(C(C12)O)C(=C)C(=O)O3)OC(=O)C=C(C)C)C
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Other Names 2-Butenoic acid, 3-methyl-, 2,3,3a,4,4a,7,9,9a-octahydro-4-hydroxy-5,8-dimethyl-3-methylene-2,7-dioxoazuleno[6,5-b]furan-9-yl ester

In Other Databases

PubChem 45359776
ChemSpider 22370239