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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H26O4
Molecular Weight 294.3859
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHYTUBERIN

SMILES

CC(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1

InChI

InChIKey=YARAJYKHRCCDLG-XLNGHYISSA-N
InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PHYTUBERIN
Common Name English
3AH-FURO(3,2-C)ISOBENZOFURAN-8-METHANOL, 5,5A,6,7,8,9-HEXAHYDRO-.ALPHA.,.ALPHA.,3A,5A-TETRAMETHYL-, 8-ACETATE, (3AR,5AS,8R,9AR)-
Systematic Name English
(-)-PHYTUBERIN
Common Name English
Code System Code Type Description
PUBCHEM
442387
Created by admin on Sat Dec 16 10:08:30 GMT 2023 , Edited by admin on Sat Dec 16 10:08:30 GMT 2023
PRIMARY
FDA UNII
RR00OUQ5B6
Created by admin on Sat Dec 16 10:08:30 GMT 2023 , Edited by admin on Sat Dec 16 10:08:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID10958386
Created by admin on Sat Dec 16 10:08:30 GMT 2023 , Edited by admin on Sat Dec 16 10:08:30 GMT 2023
PRIMARY
CAS
37209-50-0
Created by admin on Sat Dec 16 10:08:30 GMT 2023 , Edited by admin on Sat Dec 16 10:08:30 GMT 2023
PRIMARY