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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O5
Molecular Weight 362.4599
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HUMULON

SMILES

CC(C)CC(=O)C1=C(O)[C@](O)(CC=C(C)C)C(=O)C(CC=C(C)C)=C1O

InChI

InChIKey=VZMXLSLKOHIKTQ-NRFANRHFSA-N
InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23,25-26H,8,10-11H2,1-6H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O5
Molecular Weight 362.4599
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:04:36 GMT 2023
Edited
by admin
on Fri Dec 15 17:04:36 GMT 2023
Record UNII
KHB4767H3K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HUMULON
MI  
Common Name English
HUMULON [MI]
Common Name English
.ALPHA.-LUPULIC ACID
Common Name English
(6R)-3,5,6-TRIHYDROXY-4,6-BIS(3-METHYL-2-BUTENYL)-2-(3-METHYL-1-OXOBUTYL)-2,4-CYCLOHEXADIEN-1-ONE
Systematic Name English
NSC-56351
Code English
.ALPHA.-BITTER ACID
Common Name English
HUMULONE
Common Name English
Code System Code Type Description
FDA UNII
KHB4767H3K
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY
CHEBI
5769
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY
CAS
26472-41-3
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY
NSC
56351
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY
MERCK INDEX
m6063
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY Merck Index
MESH
C007966
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID501019081
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
247-725-0
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY
WIKIPEDIA
HUMULONE
Created by admin on Fri Dec 15 17:04:36 GMT 2023 , Edited by admin on Fri Dec 15 17:04:36 GMT 2023
PRIMARY