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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O2
Molecular Weight 270.3661
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.9,11-ESTRADIOL

SMILES

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

InChI

InChIKey=FABGTKBXHAEVKL-OWSLCNJRSA-N
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3/t15-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O2
Molecular Weight 270.3661
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:42:49 UTC 2023
Edited
by admin
on Sat Dec 16 07:42:49 UTC 2023
Record UNII
99558VD54H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.9,11-ESTRADIOL
Common Name English
9,11-DEHYDROESTRADIOL
Common Name English
(+)-.DELTA.9,11-ESTRADIOL
Common Name English
ESTRA-1,3,5(10),9(11)-TETRAENE-3,17-DIOL, (17.BETA.)-
Systematic Name English
ZYC-1
Code English
J-1213
Code English
ESTRADIOL HEMIHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
9-DEHYDROESTRADIOL
Common Name English
ESTRA-1,3,5(10),9(11)-TETRAENE-3,17.BETA.-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
9816888
Created by admin on Sat Dec 16 07:42:49 UTC 2023 , Edited by admin on Sat Dec 16 07:42:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID60229538
Created by admin on Sat Dec 16 07:42:49 UTC 2023 , Edited by admin on Sat Dec 16 07:42:49 UTC 2023
PRIMARY
CAS
791-69-5
Created by admin on Sat Dec 16 07:42:49 UTC 2023 , Edited by admin on Sat Dec 16 07:42:49 UTC 2023
PRIMARY
FDA UNII
99558VD54H
Created by admin on Sat Dec 16 07:42:49 UTC 2023 , Edited by admin on Sat Dec 16 07:42:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP