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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O3
Molecular Weight 302.4079
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.-METHOXYESTRADIOL

SMILES

CO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]3CCC4=C(C=CC(O)=C4)[C@@H]13

InChI

InChIKey=OAHDOJSNKCCHJM-VIUKOLAESA-N
InChI=1S/C19H26O3/c1-19-10-16(22-2)18-13-6-4-12(20)9-11(13)3-5-14(18)15(19)7-8-17(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16-,17-,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H26O3
Molecular Weight 302.4079
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
R3M9HHJ34D
Record Status Validated (UNII)
Record Version