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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36O4
Molecular Weight 412.5616
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL DIBUTYRATE

SMILES

[H][C@@]12CC[C@H](OC(=O)CCC)[C@@]1(C)CC[C@]3([H])C4=CC=C(OC(=O)CCC)C=C4CC[C@@]23[H]

InChI

InChIKey=KCWOSNZFDYZBNP-IOCWQACJSA-N
InChI=1S/C26H36O4/c1-4-6-24(27)29-18-9-11-19-17(16-18)8-10-21-20(19)14-15-26(3)22(21)12-13-23(26)30-25(28)7-5-2/h9,11,16,20-23H,4-8,10,12-15H2,1-3H3/t20-,21-,22+,23+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H36O4
Molecular Weight 412.5616
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VQZ6UH9WLR
Record Status Validated (UNII)
Record Version