| SpectraBase Spectrum ID |
5nNFcrGtrhq |
| Name |
Humulone |
| CAS Registry Number |
26472-41-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O5 |
| InChI |
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/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1 |
| InChIKey |
VMSLCPKYRPDHLN-OAQYLSRUSA-N |
| Molecular Weight |
362.466 g/mol |
| SMILES |
O[C@]1(C(C(=C(C(=C1O)CC=C(C)C)O)C(CC(C)C)=O)=O)CC=C(C)C |
| SPLASH |
splash10-02ta-6009000000-3b5399e8684cbbd220f8 |
| Source of Spectrum |
I-86-796-1 |
| Synonyms |
(6R)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-1-cyclohexa-2,4-dienone
(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
(6R)-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)-3,5,6-tris(oxidanyl)cyclohexa-2,4-dien-1-one |
| Wiley ID |
1691567 |
