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CARNOSIC_ACID_GAMMA_LACTONE
SpectraBase Compound ID 80FwOJ0WOtu
InChI InChI=1S/C20H26O3/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14)15(12)17(16(13)21)23-18(20)22/h10-11,14,21H,5-9H2,1-4H3/t14?,20-/m1/s1
InChIKey HEHCCMUMPYGALS-YBMSBYLISA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSVJaph2smK
Name Carnosic acid .gamma.-lactone
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14)15(12)17(16(13)21)23-18(20)22/h10-11,14,21H,5-9H2,1-4H3/t14?,20-/m1/s1
InChIKey HEHCCMUMPYGALS-YBMSBYLISA-N
Instrument Name VG Micromass ZAB-2F
Ionization Type EI
Literature Reference DOI 10.1021/np900822x
Molecular Weight 314.425 g/mol
Optical Rotation [a]D20 = +79 (c = 0.12, CHCl3)
Reported Formula C20H26O3
SMILES Oc1c2c3[C@]4(CCCC(C4CCc3cc1C(C)C)(C)C)C(O2)=O
SPLASH splash10-00li-0090000000-9269ff14e6d1a67fd493
Source of Spectrum G4-73-642-3
Wiley ID 1846426