U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

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

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

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
57959QO1M0
Record Status Validated (UNII)
Record Version