Molecule

(4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one

Chemical Information

5 Related Dataset(s) ⌄

Zeranol; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+

Zeranol; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+

Zeranol; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+

Zeranol; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+

Zeranol; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol85166
Source
Alternate Name	ZERANOL 26538-44-3 Zearalanol alpha-Zearalanol Ralabol alpha-Zeranol Zearanol MK-188 Zeranolum THFES (HM) MK 188 CCRIS 9234 Zeranolum [INN-Latin] EINECS 247-769-0 Xeranol UNII-76LO2L2V39 DTXSID4022315 76LO2L2V39 DTXCID102315 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S-(3R,7S))- Zeranolum (INN-Latin) ZERANOL (MART.) ZERANOL [MART.] Ralgro L. A. (-)-alpha-ZEARALANOL 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)-(+)- (3S,7R)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one (3S,7R)-(+)-3,4,5,6,7,8,9,10,11,12-DECAHYDRO-7,14,16-TRIHYDROXY-3-METHYL-1H-2-BENZOXACYCLOTETRADECIN-1-ONE (3S-(3R,7S))-3,4,5,6,7,8,9,10,11,12-DECAHYDRO-7,14,16-TRIHYDROXY-3-METHYL-1H-2-BENZOXACYCLOTETRADECIN-1-ONE 247-769-0 P-1496 MLS000081744 MK188 (-)-.alpha.-zearalanol SMR000060050 a-Zeranol CHEMBL450613 CHEBI:35064 Zeranol [USAN:INN:BAN] 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)- NCGC00037064-02 P1496 alpha zearalanol Ralabol (TN) 6-(6,10-Dihydroxyundecyl)-beta-resorcylic acid, mu-lactone (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c][1]oxacyclotetradecin-1-one (4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-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)- Zeranol (USAN/INN) Alpha-Zeranol (1.0mg/ml in Acetonitrile) CAS-26538-44-3 (3S,7X)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one alpha -Zearalanol 27J MFCD00864182 4mg8 Opera_ID_663 ZERANOL [USAN] ZERANOL [INN] ZERANOL [MI] (6X,10S)-6-(6,10-Dihydroxyundecyl)-beta-resorcylic acid mu-lactone ZERANOL [GREEN BOOK] MLS000881201 MLS001174878 BIDD:ER0082 SCHEMBL109174 MEGxm0_000463 MSK7201A BDBM32073 cid_2999413 HMS2230D18 alpha-Zearalanol, ~98% (HPLC) MSK7201A-100A HY-N6709 Tox21_110973 Tox21_201203 AKOS003599523 DB11478 NCGC00037064-03 NCGC00037064-04 NCGC00258755-01 Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S-(3R,7S))- DA-79088 FZ156789 alpha-Zeranol 10 microg/mL in Acetonitrile CS-0026318 D06362 alpha-Zeranol solution in Acetonitrile, 100ug/mL SR-01000604850 Q4024215 SR-01000604850-3 2,4-Dihydroxy-6-(6a,10-dihydroxyundecyl)benzoic acid 10-lactone 2,4-Dihydroxy-6-(6alpha,10-dihydroxyundecyl)benzoic acid mu-lactone (7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB11478	drugbank
CHEBI:35064	chebi
27J	rcsb_pdb
CHEMBL450613	chembl
109174	surechembl
29554783	surechembl
2999413	pubchem
76LO2L2V39	fdasrs
27J - Ideal conformer	pdbe
PD013497	probes_and_drugs
SECCEK	CCDC
2860	drugcentral
32073	bindingdb
The data in this table is sourced from UniChem at EBI.