Methyl (7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10 03,8]pentadeca-3,5,7-trien-13-yl)acetate

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Systematic / IUPAC Name: Methyl (7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10 03,8]pentadeca-3,5,7-trien-13-yl)acetate

ID: Reference7623

Other Names: 4a,10a-Epoxy-1H-naphtho[2,3-c]pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, methyl ester

Formula: C17H16O7

Spectral Data

Methyl (7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10 03,8]pentadeca-3,5,7-trien-13-yl)acetate 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 2171
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2018 6:19:59 AM
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Identificators

InChI InChI=1S/C17H16O7/c1-8-17-15(21)13-10(4-3-5-11(13)18)14(20)16(17,24-17)7-9(23-8)6-12(19)22-2/h3-5,8-9,18H,6-7H2,1-2H3
InChI Key IHXLRPOTFALLKF-UHFFFAOYSA-N
Canonical SMILES CC1C23C(=O)C4=C(C=CC=C4O)C(=O)C2(O3)CC(O1)CC(=O)OC
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Other Names 4a,10a-Epoxy-1H-naphtho[2,3-c]pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, methyl ester

In Other Databases

ChemSpider 29814763
PubChem 13377583