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CARNOSIC_ACID_GAMMA_LACTONE_12-BUTYRATE
SpectraBase Compound ID DWrn4PSmQ01
InChI InChI=1S/C24H32O4/c1-6-8-18(25)27-20-16(14(2)3)13-15-9-10-17-23(4,5)11-7-12-24(17)19(15)21(20)28-22(24)26/h13-14,17H,6-12H2,1-5H3/t17?,24-/m1/s1
InChIKey WAWRPBITPLUIPL-FZYLFJGDSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hb9ZmKgJQbT
Name Carnosic acid .gamma.-lactone 12-butyrate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-6-8-18(25)27-20-16(14(2)3)13-15-9-10-17-23(4,5)11-7-12-24(17)19(15)21(20)28-22(24)26/h13-14,17H,6-12H2,1-5H3/t17?,24-/m1/s1
InChIKey WAWRPBITPLUIPL-FZYLFJGDSA-N
Instrument Name VG Micromass ZAB-2F
Ionization Type EI
Literature Reference DOI 10.1021/np900822x
Molecular Weight 384.516 g/mol
Optical Rotation [a]D20 = +73 (c = 0.08, CHCl3)
Reported Formula C24H32O4
SMILES C1C[C@]23C(C(C1)(C)C)CCc1c3c(c(c(c1)C(C)C)OC(CCC)=O)OC2=O
SPLASH splash10-000i-0091000000-d800bd1dd54fe9785451
Source of Spectrum G4-73-642-9
Wiley ID 1846431