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English
MP-2001
chemical compound
2,3,4-trimethoxyestra-1,3,5(10)-trien-17β-ol
2,4-dimethoxyestradiol 3-methyl ether
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
estrane steroid
1 reference
based on heuristic
inferred from SMILES
chemical structure
MP-2001.svg
1,215 × 950; 24 KB
0 references
mass
346.21440943999994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cc2c(c(OC)c1OC)CCC1C2CCC2(C)C(O)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cc2c(c(OC)c1OC)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30O4/c1-21-10-9-12-13(16(21)7-8-18(21)22)5-6-14-15(12)11-17(23-2)20(25-4)19(14)24-3/h11-13,16,18,22H,5-10H2,1-4H3/t12-,13+,16-,18-,21-/m0/s1
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/22296422
retrieved
April 2018
InChIKey
HRVXCJHYWIFSOQ-LEZVPBBQSA-N
1 reference
based on heuristic
inferred from InChI
PubChem CID
22296422
2 references
imported from Wikimedia project
English Wikipedia
matched by identifier from
InChIKey
InChIKey
HRVXCJHYWIFSOQ-LEZVPBBQSA-N
UniChem compound ID
63107962
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401046849
1 reference
matched by identifier from
InChIKey
InChIKey
HRVXCJHYWIFSOQ-LEZVPBBQSA-N
UNII
YT76GY6AFD
1 reference
matched by identifier from
InChIKey
InChIKey
HRVXCJHYWIFSOQ-LEZVPBBQSA-N
Google Knowledge Graph ID
/g/11c57wsfst
0 references
Sitelinks
Wikipedia
(2 entries)
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enwiki
MP-2001
zhwiki
MP-2001
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