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Details

Stereochemistry RACEMIC
Molecular Formula C20H28O5
Molecular Weight 348.4333
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCOHUMULONE, TRANS-

SMILES

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

InChI

InChIKey=KKXFYHZSOIALRM-XOBRGWDASA-N
InChI=1S/C20H28O5/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/h7-8,13-14,24-25H,9-10H2,1-6H3/t14-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O5
Molecular Weight 348.4333
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 08:09:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:09 GMT 2023
Record UNII
LMS1PO68ZQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCOHUMULONE, TRANS-
Common Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-4-(4-METHYL-1-OXO-3-PENTENYL)-2-(2-METHYL-1-OXOPROPYL)-, (4R,5R)-REL-
Systematic Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-4-(4-METHYL-1-OXO-3-PENTENYL)-2-(2-METHYL-1-OXOPROPYL)-, TRANS-
Systematic Name English
TRANS-ISOCOHUMULONE
Common Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTEN-1-YL)-4-(4-METHYL-1-OXO-3-PENTEN-1-YL)-2-(2-METHYL-1-OXOPROPYL)-, (4R,5R)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
LMS1PO68ZQ
Created by admin on Sat Dec 16 08:09:09 GMT 2023 , Edited by admin on Sat Dec 16 08:09:09 GMT 2023
PRIMARY
CAS
58501-77-2
Created by admin on Sat Dec 16 08:09:09 GMT 2023 , Edited by admin on Sat Dec 16 08:09:09 GMT 2023
PRIMARY
PUBCHEM
58473849
Created by admin on Sat Dec 16 08:09:09 GMT 2023 , Edited by admin on Sat Dec 16 08:09:09 GMT 2023
PRIMARY