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CARNOSIC_ACID_GAMMA_LACTONE_12-PROPIONATE
SpectraBase Compound ID HYnPZZPiTTR
InChI InChI=1S/C23H30O4/c1-6-17(24)26-19-15(13(2)3)12-14-8-9-16-22(4,5)10-7-11-23(16)18(14)20(19)27-21(23)25/h12-13,16H,6-11H2,1-5H3/t16?,23-/m1/s1
InChIKey LQMGPWHTAOAULT-IJBYHRAESA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LfngSNyz5
Name Carnosic acid .gamma.-lactone 12-propionate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-6-17(24)26-19-15(13(2)3)12-14-8-9-16-22(4,5)10-7-11-23(16)18(14)20(19)27-21(23)25/h12-13,16H,6-11H2,1-5H3/t16?,23-/m1/s1
InChIKey LQMGPWHTAOAULT-IJBYHRAESA-N
Instrument Name VG Micromass ZAB-2F
Ionization Type EI
Literature Reference DOI 10.1021/np900822x
Molecular Weight 370.489 g/mol
Optical Rotation [a]D20 = +46 (c = 0.08, CHCl3)
Reported Formula C23H30O4
SMILES C1C[C@]23C(C(C1)(C)C)CCc1c3c(c(c(c1)C(C)C)OC(CC)=O)OC2=O
SPLASH splash10-000l-0091000000-49b30515bfb2dd791583
Source of Spectrum G4-73-642-8
Wiley ID 1846430