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Details

Stereochemistry RACEMIC
Molecular Formula C19H24O2
Molecular Weight 284.3927
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-ISOESTRONE METHYL ETHER, (±)-

SMILES

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

InChI

InChIKey=BCWWDWHFBMPLFQ-DFEOGRTESA-N
InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16+,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24O2
Molecular Weight 284.3927
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 09:52:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:52:55 GMT 2023
Record UNII
PZL30K9T42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-ISOESTRONE METHYL ETHER, (±)-
Common Name English
8-ISOESTRONE DL-METHYL ETHER [MI]
Common Name English
8-ISOESTRONE METHYL ETHER, DL-
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-METHOXY-, (8.ALPHA.)-(±)-
Systematic Name English
(±)-8.ALPHA.-ESTRONE METHYL ETHER
Common Name English
Code System Code Type Description
FDA UNII
PZL30K9T42
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY
CAS
2445-27-4
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY
MERCK INDEX
m6483
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY Merck Index
PUBCHEM
7092634
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY