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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O2
Molecular Weight 294.3875
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11-DEHYDRO ETHYNYL ESTRADIOL

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC=C3C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=DUZHXWCAIBMQPI-FYQPLNBISA-N
InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7-8,12,17-18,21-22H,4,6,9-11H2,2H3/t17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22O2
Molecular Weight 294.3875
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

Substance Class Chemical
Record UNII
1521KR33D3
Record Status Validated (UNII)
Record Version