Deoxylimonin

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Systematic / IUPAC Name: 1-(3-Furyl)-4b,7,7,14a-tetramethyl-6a,7,12b,13,14,14a-hexahydro-1H,8aH-pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,5,10(4bH,6H,9H)-trione

ID: Reference3494

Other Names: Desoxylimonin;
Limonoic acid, 14,15-deepoxy-14,15-dehydro-, di-δ-lactone

Formula: C26H30O7

Class: Endogenous Metabolites Natural Products/Medicines Therapeutics/Prescription Drugs

Spectral Data

Deoxylimonin 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 Elite
No. of Spectral Trees 1
No. of Spectra 3942
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/15/2015 11:17:39 AM
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Identificators

InChI InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3
InChI Key QUTATOGBENCRSS-UHFFFAOYSA-N
Canonical SMILES CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C
CAS 989231
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Other Names Desoxylimonin;
Limonoic acid, 14,15-deepoxy-14,15-dehydro-, di-δ-lactone

In Other Databases

PubChem 100026
ChemIDPlus 000989231
ChemSpider 90382
HMDb HMDB35031