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(Q105237560)
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(+)-Miroestrol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7,13,16,17-tetrahydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.0³,¹².0⁴,⁹.0¹³,¹⁸]nonadeca-4,6,8,11-tetraen-14-one
1 reference
based on heuristic
inferred from SMILES
mass
358.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Miroestrol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₂O₆
0 references
canonical SMILES
O=C1CC2(O)CC3C(C2O)C1(O)C4=COC5=CC(O)=CC=C5C4C3(C)C
0 references
isomeric SMILES
CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@]2(O)C(=O)C[C@@]3(O)C[C@@H]1[C@H]2[C@H]3O
0 references
Identifiers
InChI
InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15-,16+,17-,19+,20+/m1/s1
0 references
InChIKey
RJKLDOLOCIQYFS-QKCXVILVSA-N
0 references
PubChem CID
5319852
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RJKLDOLOCIQYFS-QKCXVILVSA-N
UniChem compound ID
79141
1 reference
stated in
UniChem
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