Cantharidin

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Systematic / IUPAC Name: (1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione

ID: Reference6526

Other Names: Cantharides camphor;
Cantharidine;
Cantharone;
Kantaridin;
Kantharidin ; more

Formula: C10H12O4

Class: Endogenous Metabolites

Spectral Data

Cantharidin 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 1284
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/3/2017 6:35:59 AM
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Identificators

InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
InChI Key DHZBEENLJMYSHQ-XCVPVQRUSA-N
Canonical SMILES CC12C3CCC(C1(C(=O)OC2=O)C)O3
CAS 56257
Splash
Other Names Cantharides camphor;
Cantharidine;
Cantharone;
Kantaridin;
Kantharidin;
(1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride;
(1S,3S,4R,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0-2,6]decane-3,5-dione;
(3ar,4S,7R,7as)-3a,7a-Dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione;
1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride;
2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride;
3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione;
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-α,4-β,7-β,7a-α);
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-;
7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran;
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl- ;
Exo-1,2-cis-dimethyl-3,6-epoxyhexahydrophthalic anhydride;
Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione

In Other Databases

KEGG C16778
ChEBI CHEBI:64213
Wikipedia Cantharidin
ChemIDPlus 000056257
PubChem 5944
ChEMBL CHEMBL48449
ChemSpider 5731