U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O2
Molecular Weight 326.4724
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANORDIOL

SMILES

C[C@]12C[C@](O)(C[C@@H]1CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@H]23)C#C

InChI

InChIKey=HUUUMTTWAPMBMU-ZBJWQKIUSA-N
InChI=1S/C22H30O2/c1-5-21(23)13-15-7-8-16-17(19(15,3)14-21)9-11-20(4)18(16)10-12-22(20,24)6-2/h1-2,15-18,23-24H,7-14H2,3-4H3/t15-,16+,17-,18-,19-,20-,21+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H30O2
Molecular Weight 326.4724
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:43:55 GMT 2025
Edited
by admin
on Mon Mar 31 19:43:55 GMT 2025
Record UNII
5G6H10Z92J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANORDIOL
Common Name English
AF-45
Preferred Name English
H-241
Code English
DICYCLOPENTA(A,F)NAPHTHALENE-1,7-DIOL, 1,7-DIETHYNYLHEXADECAHYDRO-8A,10A-DIMETHYL-, (1R,3AS,3BR,5AS,7R,8AS,8BS,10AS)-
Systematic Name English
Code System Code Type Description
CAS
1045-29-0
Created by admin on Mon Mar 31 19:43:55 GMT 2025 , Edited by admin on Mon Mar 31 19:43:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID60909005
Created by admin on Mon Mar 31 19:43:55 GMT 2025 , Edited by admin on Mon Mar 31 19:43:55 GMT 2025
PRIMARY
FDA UNII
5G6H10Z92J
Created by admin on Mon Mar 31 19:43:55 GMT 2025 , Edited by admin on Mon Mar 31 19:43:55 GMT 2025
PRIMARY
PUBCHEM
164779
Created by admin on Mon Mar 31 19:43:55 GMT 2025 , Edited by admin on Mon Mar 31 19:43:55 GMT 2025
PRIMARY
WIKIPEDIA
Anordiol
Created by admin on Mon Mar 31 19:43:55 GMT 2025 , Edited by admin on Mon Mar 31 19:43:55 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY