α-Zearalanol

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Systematic / IUPAC Name: (3S,7R)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one

ID: Reference6138

Other Names: α-Zeranol ;
Ralabol;
Ralabol (TN);
Ralgro;
Ralone ; more

Formula: C18H26O5

Class: Natural Toxins

Spectral Data

α-Zearalanol 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 534
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/2/2016 12:04:04 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
InChI Key DWTTZBARDOXEAM-GXTWGEPZSA-N
Canonical SMILES CC1CCCC(CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O
CAS 26538443
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Other Names α-Zeranol ;
Ralabol;
Ralabol (TN);
Ralgro;
Ralone;
Zeranol ;
(3S,7R)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one;
(7R,11S)-7,15,17-Trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one;
1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)-;
2,4-Dihydroxy-6-(6α,10-dihydroxyundecyl)benzoic acid μ-lactone;
6-(6,10-Dihydroxyundecyl)-β-resorcylic acid μ-lactone

In Other Databases

PubChem 2999413
ChEBI CHEBI:35064
ChEMBL CHEMBL450613
ChemSpider 2271133
Wikipedia Zeranol
KEGG C14752; D06362