For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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-
SpectraBase Compound ID J2jzYVxOtMe
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
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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-
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
Synonyms (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
Wiley ID 1349731