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Details

Stereochemistry MIXED
Molecular Formula C21H36O5
Molecular Weight 368.5075
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAHYDROISOADHUMULONE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C21H36O5
Molecular Weight 368.5075
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 Mon Mar 31 21:59:44 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:44 GMT 2025
Record UNII
S7JO7JVG8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PENTANONE, 4-METHYL-1-(1,2,4-TRIHYDROXY-5-(3-METHYLBUTYL)-3-(2-METHYL-1-OXOBUTYL)-2-CYCLOPENTEN-1-YL)-
Preferred Name English
HEXAHYDROISOADHUMULONE
Common Name English
Code System Code Type Description
PUBCHEM
119058026
Created by admin on Mon Mar 31 21:59:44 GMT 2025 , Edited by admin on Mon Mar 31 21:59:44 GMT 2025
PRIMARY
CAS
959587-65-6
Created by admin on Mon Mar 31 21:59:44 GMT 2025 , Edited by admin on Mon Mar 31 21:59:44 GMT 2025
PRIMARY
FDA UNII
S7JO7JVG8F
Created by admin on Mon Mar 31 21:59:44 GMT 2025 , Edited by admin on Mon Mar 31 21:59:44 GMT 2025
PRIMARY