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Details

Stereochemistry RACEMIC
Molecular Formula C18H22O2
Molecular Weight 270.3661
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRONE, (±)-

SMILES

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

InChI

InChIKey=DNXHEGUUPJUMQT-CBZIJGRNSA-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/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ESTRONE, (±)-
Common Name English
(±)-ESTRONE
Common Name English
ESTRONE DL-FORM [MI]
Common Name English
(±)-OESTRONE
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, (±)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m5033
Created by admin on Fri Dec 15 17:41:00 UTC 2023 , Edited by admin on Fri Dec 15 17:41:00 UTC 2023
PRIMARY Merck Index
CAS
19973-76-3
Created by admin on Fri Dec 15 17:41:00 UTC 2023 , Edited by admin on Fri Dec 15 17:41:00 UTC 2023
PRIMARY
FDA UNII
X9XKA379T9
Created by admin on Fri Dec 15 17:41:00 UTC 2023 , Edited by admin on Fri Dec 15 17:41:00 UTC 2023
PRIMARY
PUBCHEM
5870
Created by admin on Fri Dec 15 17:41:00 UTC 2023 , Edited by admin on Fri Dec 15 17:41:00 UTC 2023
PRIMARY