KDT-501, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H33O5.K
Molecular Weight	404.582
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].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=MUGZHLIAYCAKEW-WSZABJOTSA-N

InChI=1S/C21H33O5.K/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;/h12-15,26H,7-11H2,1-6H3;/q-1;+1/t15-,21+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H33O5
Molecular Weight	365.4837
Charge	-1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:47 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:47 GMT 2023`
Record UNII	89DNT9F435
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KDT-501, (-)-

Common Name

English

2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYLBUTYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXOPENTYL)-, POTASSIUM SALT (1:1), (4R,5S)-

Systematic Name

English

(-)-CIS-TETRAHYDROISOHUMULONE POTASSIUM

Common Name

English

(-)-(4R,5S)-3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE, POTASSIUM SALT

Common Name

English

(-)-KDT-501

Code

English

Code System Code Type Description

PUBCHEM

76971555

Created by admin on Sat Dec 16 08:32:47 GMT 2023 , Edited by admin on Sat Dec 16 08:32:47 GMT 2023

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FDA UNII

89DNT9F435

Created by admin on Sat Dec 16 08:32:47 GMT 2023 , Edited by admin on Sat Dec 16 08:32:47 GMT 2023

PRIMARY

EPA CompTox

DTXSID40160177

Created by admin on Sat Dec 16 08:32:47 GMT 2023 , Edited by admin on Sat Dec 16 08:32:47 GMT 2023

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CAS

1374228-86-0

Created by admin on Sat Dec 16 08:32:47 GMT 2023 , Edited by admin on Sat Dec 16 08:32:47 GMT 2023

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Related Record Type Details


					3316O9T2FK

KDT-500, (-)-

ACTIVE MOIETY