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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O5
Molecular Weight 362.4599
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOHUMULONE, TRANS-(+)-

SMILES

CC(C)CC(=O)C1=C(O)[C@](O)([C@@H](CC=C(C)C)C1=O)C(=O)CC=C(C)C

InChI

InChIKey=QARXXMMQVDCYGZ-BTYIYWSLSA-N
InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3/t15-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O5
Molecular Weight 362.4599
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:37 GMT 2023
Record UNII
8F486LP72O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOHUMULONE, TRANS-(+)-
Common Name English
(+)-TRANS-ISOHUMULONE
Common Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXO-3-PENTENYL)-, (4R-TRANS)-
Systematic Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXO-3-PENTENYL)-, (4R,5R)-
Systematic Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTEN-1-YL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXO-3-PENTEN-1-YL)-, (4R,5R)-
Systematic Name English
Code System Code Type Description
CAS
35928-11-1
Created by admin on Sat Dec 16 08:06:37 GMT 2023 , Edited by admin on Sat Dec 16 08:06:37 GMT 2023
PRIMARY
PUBCHEM
58473839
Created by admin on Sat Dec 16 08:06:37 GMT 2023 , Edited by admin on Sat Dec 16 08:06:37 GMT 2023
PRIMARY
FDA UNII
8F486LP72O
Created by admin on Sat Dec 16 08:06:37 GMT 2023 , Edited by admin on Sat Dec 16 08:06:37 GMT 2023
PRIMARY