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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O5
Molecular Weight 366.4917
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KDT-500, (-)-

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-VFNWGFHPSA-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+/m1/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

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:42:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:42:10 GMT 2023
Record UNII
3316O9T2FK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KDT-500, (-)-
Common Name English
(-)-CIS-TETRAHYDROISOHUMULONE
Common Name English
(-)-(4R,5S)-3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE
Systematic Name English
TETRAHYDROISOHUMULONE, (-)-CIS-
Common Name English
(-)-KDT-500
Code English
2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYLBUTYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXOPENTYL)-, (4R,5S)-
Systematic Name English
Code System Code Type Description
CAS
544444-94-2
Created by admin on Sat Dec 16 08:42:10 GMT 2023 , Edited by admin on Sat Dec 16 08:42:10 GMT 2023
PRIMARY
PUBCHEM
25015707
Created by admin on Sat Dec 16 08:42:11 GMT 2023 , Edited by admin on Sat Dec 16 08:42:11 GMT 2023
PRIMARY
FDA UNII
3316O9T2FK
Created by admin on Sat Dec 16 08:42:10 GMT 2023 , Edited by admin on Sat Dec 16 08:42:10 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY