ISOHUMULONE, TRANS-(-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O5
Molecular Weight	362.4599
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=QARXXMMQVDCYGZ-QVKFZJNVSA-N

InChI=1S/C21H30O5/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/h7-8,14-15,25-26H,9-11H2,1-6H3/t15-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O5
Molecular Weight	362.4599
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 `Mon Mar 31 22:02:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:02:04 GMT 2025`
Record UNII	MH0ZZC7U5J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-TRANS-ISOHUMULONE

Preferred Name

English

ISOHUMULONE, TRANS-(-)-

Common Name

English

2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTEN-1-YL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXO-3-PENTEN-1-YL)-, (4S,5S)-

Systematic Name

English

2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXO-3-PENTENYL)-, (4S,5S)-

Systematic Name

English

2-CYCLOPENTEN-1-ONE, 3,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-2-(3-METHYL-1-OXOBUTYL)-4-(4-METHYL-1-OXO-3-PENTENYL)-, (4S-TRANS)-

Systematic Name

English

ISOHUMULONE A

Common Name

English

PHOTOISOHUMULONE

Common Name

English

ISOHUMULONE A2

Common Name

English

TRANS-ISOHUMULONE

Common Name

English

3-PENTEN-1-ONE, 1-(1,2-DIHYDROXY-3-ISOVALERYL-5-(3-METHYL-2-BUTENYL)-4-OXO-2-CYCLOPENTEN-1-YL)-4-METHYL-, CIS-(-)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MH0ZZC7U5J

Created by admin on Mon Mar 31 22:02:04 GMT 2025 , Edited by admin on Mon Mar 31 22:02:04 GMT 2025

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PUBCHEM

11175902

Created by admin on Mon Mar 31 22:02:04 GMT 2025 , Edited by admin on Mon Mar 31 22:02:04 GMT 2025

PRIMARY

EPA CompTox

DTXSID601316206

Created by admin on Mon Mar 31 22:02:04 GMT 2025 , Edited by admin on Mon Mar 31 22:02:04 GMT 2025

PRIMARY

CAS

467-72-1

Created by admin on Mon Mar 31 22:02:04 GMT 2025 , Edited by admin on Mon Mar 31 22:02:04 GMT 2025

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