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mytatrienediol

Properties

Image

Occurences in reactions

MNX_ID

MNXM62850

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₂₈O₃

charge

mass

316.20384

reference

chebi:34859

InChIKey

OOVXZFCPCSVSEM-NADOGSGZSA-N

InChI

InChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1

SMILES

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@](C)(O)[C@@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34859 chebi:34859	mytatrienediol 16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol 17-alpha-Methylestriol 3-methyl ether 3-methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol Mytatrienediol
seed.compound:cpd09941 seedM:cpd09941 kegg.compound:C14242 keggC:C14242	Mytatrienediol 16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol 17-alpha-Methylestriol 3-methyl ether
keggC:M_C14242 seedM:M_cpd09941	secondary/obsolete/fantasy identifier