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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O2
Molecular Weight 270.3668
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.6,7-ESTRADIOL

SMILES

C[C@@]12CC[C@]3([H])c4ccc(cc4C=C[C@@]3([H])[C@]2([H])CC[C@]1([H])O)O

InChI

InChIKey=VVLCELUSWGWMSW-ZBRFXRBCSA-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/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O2
Molecular Weight 270.3668
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:17:49 UTC 2021
Edited
by admin
on Sat Jun 26 01:17:49 UTC 2021
Record UNII
N4K670423X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.6,7-ESTRADIOL
Common Name English
ESTRADIOL RELATED COMPOUND B [USP-RS]
Common Name English
6,7-DEHYDRO ESTRADIOL
Common Name English
NSC-57430
Code English
C14590
Code English
ESTRA-1,3,5(10)-6-TETRAEN-3,17.BETA.-DIOL
Systematic Name English
ESTRA-1,3,5(10),6-TETRAENE-3,17-DIOL, (17.BETA.)-
Systematic Name English
ESTRA-1,3,5(10),6-TETRAENE-3,17-DIOL,(17.BETA.)-
Common Name English
(17.BETA.)-ESTRA-1,3,5(10),6-TETRENE-3,17-DIOL
Systematic Name English
J112.451J
Code English
DELTA 6 E2
Common Name English
(8R,9S,13S,14S,17S)-13-METHYL-8,9,11,12,14,15,16,17-OCTAHYDROCYCLOPENTA(A)PHENANTHRENE-3,17-DIOL
Systematic Name English
6-DEHYDROESTRADIOL
Common Name English
6-DEHYDRO-17.BETA.-ESTRADIOL
Common Name English
6,7-DIDEHYDRO-17.BETA.-ESTRADIOL
Common Name English
ESTRADIOL RELATED COMPOUND B
USP-RS  
Common Name English
Code System Code Type Description
CAS
7291-41-0
Created by admin on Sat Jun 26 01:17:49 UTC 2021 , Edited by admin on Sat Jun 26 01:17:49 UTC 2021
PRIMARY
USP_CATALOG
1250020
Created by admin on Sat Jun 26 01:17:49 UTC 2021 , Edited by admin on Sat Jun 26 01:17:49 UTC 2021
PRIMARY USP-RS
PUBCHEM
245468
Created by admin on Sat Jun 26 01:17:49 UTC 2021 , Edited by admin on Sat Jun 26 01:17:49 UTC 2021
PRIMARY
FDA UNII
N4K670423X
Created by admin on Sat Jun 26 01:17:49 UTC 2021 , Edited by admin on Sat Jun 26 01:17:49 UTC 2021
PRIMARY
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