Picrotin

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Systematic / IUPAC Name: (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12 03,5 05,13]tetradecane-6,11-dione

ID: Reference7364

Other Names: (5S,8S,12S,14S,1R,3R,9R,13R)-1-Hydroxy-14-(1-hydroxy-isopropyl)-13-methyl-4,7, 10-trioxapentacyclo[6.4.1.1.0.0]tetradecane-6,11-dione

Formula: C15H18O7

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Picrotin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 280
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/8/2018 11:11:23 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1
InChI Key RYEFFICCPKWYML-QCGISDTRSA-N
Canonical SMILES CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
CAS
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Other Names (5S,8S,12S,14S,1R,3R,9R,13R)-1-Hydroxy-14-(1-hydroxy-isopropyl)-13-methyl-4,7, 10-trioxapentacyclo[6.4.1.1.0.0]tetradecane-6,11-dione

In Other Databases

ChEBI CHEBI:8205
KEGG C09528
PubChem 442291
Wikipedia Picrotoxin
ChemSpider 390759
ChEMBL CHEMBL478523