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Details

Stereochemistry UNKNOWN
Molecular Formula C22H30O3
Molecular Weight 342.4718
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYMETHYLETHISTERONE

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C(CO)C[C@]34C

InChI

InChIKey=JGJFMZZHCOKXHX-DUGPHZPDSA-N
InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14?,16-,17+,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30O3
Molecular Weight 342.4718
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
[Analysis of danazol and its metabolites in serum by RP-HPLC with maxplot UV detector].
1988
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:14:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:14:55 GMT 2023
Record UNII
57959QO1M0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXYMETHYLETHISTERONE
Common Name English
PREGN-4-EN-20-YN-3-ONE, 17-HYDROXY-2-(HYDROXYMETHYL)-, (17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
53953943
Created by admin on Sat Dec 16 09:14:56 GMT 2023 , Edited by admin on Sat Dec 16 09:14:56 GMT 2023
PRIMARY
FDA UNII
57959QO1M0
Created by admin on Sat Dec 16 09:14:56 GMT 2023 , Edited by admin on Sat Dec 16 09:14:56 GMT 2023
PRIMARY
CAS
67110-85-4
Created by admin on Sat Dec 16 09:14:56 GMT 2023 , Edited by admin on Sat Dec 16 09:14:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA