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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 Sat Dec 16 12:07:58 UTC 2023
Edited
by admin
on Sat Dec 16 12:07:58 UTC 2023
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)-
Systematic 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 Sat Dec 16 12:07:58 UTC 2023 , Edited by admin on Sat Dec 16 12:07:58 UTC 2023
PRIMARY
PUBCHEM
46843610
Created by admin on Sat Dec 16 12:07:58 UTC 2023 , Edited by admin on Sat Dec 16 12:07:58 UTC 2023
PRIMARY
CAS
685110-37-6
Created by admin on Sat Dec 16 12:07:58 UTC 2023 , Edited by admin on Sat Dec 16 12:07:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT