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> Main
CHEBI:34859 - mytatrienediol
Main
ChEBI Ontology
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ChEBI Name
mytatrienediol
ChEBI ID
CHEBI:34859
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H28O3
Net Charge
0
Average Mass
316.43452
Monoisotopic Mass
316.20384
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
InChIKey
OOVXZFCPCSVSEM-NADOGSGZSA-N
SMILES
[H][C@]12CC[C@]3(C)[C@@H](O)[C@@](C)(O)C[C@@]3([H])[C@]1([H])CCc1cc(OC)ccc21
ChEBI Ontology
Outgoing
mytatrienediol (
CHEBI:34859
)
has parent hydride
estrane (
CHEBI:23966
)
mytatrienediol (
CHEBI:34859
)
is a
16β-hydroxy steroid (
CHEBI:17354
)
mytatrienediol (
CHEBI:34859
)
is a
17β-hydroxy steroid (
CHEBI:35343
)
IUPAC Name
3-methoxy-16-methylestra-1,3,5(10)-triene-16β,17β-diol
Synonyms
Sources
16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol
KEGG COMPOUND
17-alpha-Methylestriol 3-methyl ether
KEGG COMPOUND
Mytatrienediol
KEGG COMPOUND
Manual Xref
Database
C14242
KEGG COMPOUND
View more database links
Registry Number
Type
Source
5108-94-1
CAS Registry Number
ChemIDplus
Last Modified
26 February 2007