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Details

Stereochemistry RACEMIC
Molecular Formula C19H24O2
Molecular Weight 284.3927
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRONE METHYL ETHER, (±)-

SMILES

COC1=CC2=C(C=C1)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC2

InChI

InChIKey=BCWWDWHFBMPLFQ-VXNCWWDNSA-N
InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24O2
Molecular Weight 284.3927
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
59359RSB8X
Record Status Validated (UNII)
Record Version