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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H45FO
Molecular Weight 404.644
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORCHOLESTENOL FLUOROMETHYL

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](CF)C4=C(CC[C@H](O)C4)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=RPKBMZPQDSZBMF-YVJYXHLXSA-N
InChI=1S/C27H45FO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H45FO
Molecular Weight 404.644
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 Sat Dec 16 16:33:44 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:44 GMT 2023
Record UNII
JR4U5E1Q6O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORCHOLESTENOL FLUOROMETHYL
Common Name English
19-NORCHOLEST-5(10)-EN-3-OL, 6-(FLUOROMETHYL)-, (3.BETA.,6.BETA.)-
Systematic Name English
(F)NP-59
Code English
Code System Code Type Description
PUBCHEM
146675089
Created by admin on Sat Dec 16 16:33:45 GMT 2023 , Edited by admin on Sat Dec 16 16:33:45 GMT 2023
PRIMARY
CAS
2414062-26-1
Created by admin on Sat Dec 16 16:33:45 GMT 2023 , Edited by admin on Sat Dec 16 16:33:45 GMT 2023
PRIMARY
FDA UNII
JR4U5E1Q6O
Created by admin on Sat Dec 16 16:33:45 GMT 2023 , Edited by admin on Sat Dec 16 16:33:45 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED