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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36O5
Molecular Weight 368.5075
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAENONE B

SMILES

[H][C@]12C[C@](C)(O)C[C@@H](C)[C@]1([H])[C@@](C)(C(=O)CCO)[C@@]([H])([C@H](C)CC)[C@](C)(O)C2=O

InChI

InChIKey=PUZNAAVWFXQUDM-HBKHSIGZSA-N
InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
BETAENONE B
Common Name English
(2S,3R,4R,4AS,5R,7R,8AS)-3-SEC-BUTYL-2,7-DIHYDROXY-4-(3-HYDROXYPROPANOYL)-2,4,5,7-TETRAMETHYLOCTAHYDRONAPHTHALEN-1(2H)-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40234463
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
CAS
85269-23-4
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
FDA UNII
C9873620HS
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
WIKIPEDIA
BETAENONE B
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY
PUBCHEM
158750
Created by admin on Fri Dec 15 18:50:46 GMT 2023 , Edited by admin on Fri Dec 15 18:50:46 GMT 2023
PRIMARY