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

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H80O3
Molecular Weight 681.1256
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FARADIOL 3-PALMITATE

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]5(C)CC=C(C)[C@@H](C)[C@]25[H]

InChI

InChIKey=TXBRTEQRWJPSKE-FIBMEZNKSA-N
InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h26,34-39,41,47H,10-25,27-32H2,1-9H3/t34-,35-,36+,37-,38+,39+,41-,43+,44-,45-,46-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FARADIOL 3-PALMITATE
Common Name English
FARADIOL-3-O-PALMITATE
Common Name English
URS-20-ENE-3,16-DIOL, 3-HEXADECANOATE, (3.BETA.,16.BETA.,18.ALPHA.,19.ALPHA.)-
Systematic Name English
((3S,4AR,6AR,6AR,6BR,8S,8AS,12S,12AR,14AR,14BR)-8-HYDROXY-4,4,6A,6B,8A,11,12,14B-OCTAMETHYL-2,3,4A,5,6,6A,7,8,9,12,12A,13,14,14A-TETRADECAHYDRO-1H-PICEN-3-YL) HEXADECANOATE
Systematic Name English
FARADIOL 3-MONOPALMITATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID401200538
Created by admin on Sat Dec 16 10:47:09 GMT 2023 , Edited by admin on Sat Dec 16 10:47:09 GMT 2023
PRIMARY
FDA UNII
DGE7WPP4LD
Created by admin on Sat Dec 16 10:47:09 GMT 2023 , Edited by admin on Sat Dec 16 10:47:09 GMT 2023
PRIMARY
PUBCHEM
11388345
Created by admin on Sat Dec 16 10:47:09 GMT 2023 , Edited by admin on Sat Dec 16 10:47:09 GMT 2023
PRIMARY
CAS
193690-84-5
Created by admin on Sat Dec 16 10:47:09 GMT 2023 , Edited by admin on Sat Dec 16 10:47:09 GMT 2023
PRIMARY