U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry UNKNOWN
Molecular Formula C20H34O5
Molecular Weight 354.481
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAHYDROISOCOHUMULONE

SMILES

CC(C)CCC(O)C1(O)C(CC=C(C)C)C(O)C(C(=O)C(C)C)=C1O

InChI

InChIKey=CNKVRZVLFXIJHB-UHFFFAOYSA-N
InChI=1S/C20H34O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7,12-15,18,21,23-25H,8-10H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C20H34O5
Molecular Weight 354.481
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:23:17 GMT 2025
Edited
by admin
on Tue Apr 01 18:23:17 GMT 2025
Record UNII
F966Z0NPY9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAHYDROISOCOHUMULONE
Common Name English
1-PROPANONE, 2-METHYL-1-(2,3,5-TRIHYDROXY-3-(1-HYDROXY-4-METHYLPENTYL)-4-(3-METHYL-2-BUTEN-1-YL)-1-CYCLOPENTEN-1-YL)-
Preferred Name English
2-METHYL-1-(2,3,5-TRIHYDROXY-3-(1-HYDROXY-4-METHYLPENTYL)-4-(3-METHYL-2-BUTEN-1-YL)-1-CYCLOPENTEN-1-YL)-1-PROPANONE
Systematic Name English
Code System Code Type Description
FDA UNII
F966Z0NPY9
Created by admin on Tue Apr 01 18:23:17 GMT 2025 , Edited by admin on Tue Apr 01 18:23:17 GMT 2025
PRIMARY
PUBCHEM
46843610
Created by admin on Tue Apr 01 18:23:17 GMT 2025 , Edited by admin on Tue Apr 01 18:23:17 GMT 2025
PRIMARY
CAS
685110-37-6
Created by admin on Tue Apr 01 18:23:17 GMT 2025 , Edited by admin on Tue Apr 01 18:23:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT