Corilagin

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Systematic / IUPAC Name: 6,7,8,11,12,13,22,23-Octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9 010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate

ID: Reference6231

Other Names: 1,2,3,11,16,17,18,19-Octahydroxy-5,14-dioxo-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-10-yl 3,4,5-trihydroxybenzoate ;
Benzoic acid, 3,4,5-trihydroxy-, 5,7,8,11,12,14-hexahydro-1,2,3,11,16,17,18,19-octahydroxy-5,14-dioxo-8,12-methano-10H-dibenzo[j,l][1,4,8]trioxacyclotetradecin-10-yl ester

Formula: C27H22O18

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Corilagin 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 1413
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/19/2017 12:18:46 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2
InChI Key TUSDEZXZIZRFGC-UHFFFAOYSA-N
Canonical SMILES C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
CAS 23094691
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Other Names 1,2,3,11,16,17,18,19-Octahydroxy-5,14-dioxo-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-10-yl 3,4,5-trihydroxybenzoate ;
Benzoic acid, 3,4,5-trihydroxy-, 5,7,8,11,12,14-hexahydro-1,2,3,11,16,17,18,19-octahydroxy-5,14-dioxo-8,12-methano-10H-dibenzo[j,l][1,4,8]trioxacyclotetradecin-10-yl ester

In Other Databases

ChemSpider 4265734
PubChem 5089683
Wikipedia Corilagin