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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H32O4
Molecular Weight 480.5941
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-ESTRADIOL DIBENZOATE

SMILES

[H][C@@]12CC[C@H](OC(=O)C3=CC=CC=C3)[C@@]1(C)CC[C@]4([H])C5=C(CC[C@@]24[H])C=C(OC(=O)C6=CC=CC=C6)C=C5

InChI

InChIKey=QSEBTTYLHXQXSF-CAHAWPIUSA-N
InChI=1S/C32H32O4/c1-32-19-18-26-25-15-13-24(35-30(33)21-8-4-2-5-9-21)20-23(25)12-14-27(26)28(32)16-17-29(32)36-31(34)22-10-6-3-7-11-22/h2-11,13,15,20,26-29H,12,14,16-19H2,1H3/t26-,27-,28+,29+,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H32O4
Molecular Weight 480.5941
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
65W00I5071
Record Status Validated (UNII)
Record Version