HUMULON

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NCATS

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

Structure Search

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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:04:36 UTC 2023` Edited by `admin` on `Fri Dec 15 17:04:36 UTC 2023`
Record UNII	KHB4767H3K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HUMULON

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 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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CHEBI

5769

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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CAS

26472-41-3

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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NSC

56351

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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MERCK INDEX

m6063

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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Merck Index

MESH

C007966

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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EPA CompTox

DTXSID501019081

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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ECHA (EC/EINECS)

247-725-0

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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WIKIPEDIA

HUMULONE

Created by admin on Fri Dec 15 17:04:36 UTC 2023 , Edited by admin on Fri Dec 15 17:04:36 UTC 2023

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