| SpectraBase Spectrum ID |
4v2Rs2fXCRi |
| Name |
2-Cyclopenten-1-one, 3,4-dihydroxy-2-(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, trans- |
| Alternate Name(s) |
(4S,5S)-3,4-dihydroxy-5-(3-methylbutanoyl)-2-(3-methyl-2-butenyl)-4-(4-methyl-3-pentenoyl)-2-cyclopenten-1-one
trans anti-isohumulone |
| CAS Registry Number |
70434-01-4 |
| 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)21(26,20(15)25)17(23)10-8-13(3)4/h7-8,14,18,25-26H,9-11H2,1-6H3/t18-,21-/m0/s1 |
| InChIKey |
GNFKKKMOPPTSTB-RXVVDRJESA-N |
| Molecular Weight |
362.466 g/mol |
| SMILES |
OC1=C(C([C@@]([C@]1(C(CC=C(C)C)=O)O)(C(CC(C)C)=O)[H])=O)CC=C(C)C |
| SPLASH |
splash10-052f-9070000000-8ac953b97487c18297a5 |
| Source of Spectrum |
F-35-991-0 |
| Wiley ID |
1349731 |
