| SpectraBase Spectrum ID |
D9Q3R1Wtwwe |
| Name |
(trans)-isohumulone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O5 |
| InChI |
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+/m0/s1 |
| InChIKey |
QARXXMMQVDCYGZ-YCRPNKLZSA-N |
| Molecular Weight |
362.466 g/mol |
| SMILES |
O[C@]1([C@](C(C(=C1O)C(CC(C)C)=O)=O)(CC=C(C)C)[H])C(CC=C(C)C)=O |
| SPLASH |
splash10-02ai-9015000000-93323fba80b890b0ac21 |
| Source of Spectrum |
I-86-796-2 |
| Synonyms |
2-(1'-Oxo-3'-methylbutyl)-4(S)-(1''-oxo-4''-methyl-3''-pentenyl)-5-(3'''-methyl-2'''-butenyl)-3,4(R)-dihydroxy-1-oxocyclopent-2-ene
(4S,5R)-3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)-1-cyclopent-2-enone
(4S,5R)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
(4S,5R)-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-3,4-bis(oxidanyl)cyclopent-2-en-1-one |
| Wiley ID |
1691566 |
