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Details

Stereochemistry RACEMIC
Molecular Formula C21H34O5
Molecular Weight 366.4917
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRAHYDROISOHUMULONE, TRANS-

SMILES

CC(C)CC[C@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@@]1(O)C(=O)CCC(C)C

InChI

InChIKey=JIZQRWKUYFNSDM-BTYIYWSLSA-N
InChI=1S/C21H34O5/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/h12-15,25-26H,7-11H2,1-6H3/t15-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H34O5
Molecular Weight 366.4917
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:38 GMT 2023
Record UNII
528XQW55S0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRAHYDROISOHUMULONE, TRANS-
Common Name English
TRANS-TETRAHYDROISOHUMULONE
Common Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYLBUTYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXOPENTYL)-, TRANS-
Systematic Name English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYLBUTYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXOPENTYL)-, (4R,5R)-REL-
Systematic Name English
(±)-TRANS-TETRAHYDROISOHUMULONE
Common Name English
Code System Code Type Description
CAS
29788-67-8
Created by admin on Sat Dec 16 08:33:38 GMT 2023 , Edited by admin on Sat Dec 16 08:33:38 GMT 2023
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FDA UNII
528XQW55S0
Created by admin on Sat Dec 16 08:33:38 GMT 2023 , Edited by admin on Sat Dec 16 08:33:38 GMT 2023
PRIMARY
PUBCHEM
57464007
Created by admin on Sat Dec 16 08:33:38 GMT 2023 , Edited by admin on Sat Dec 16 08:33:38 GMT 2023
PRIMARY