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CARNOSIC_ACID_GAMMA_LACTONE_12-PHENYLACETATE
SpectraBase Compound ID Ir4ghdBVVca
InChI InChI=1S/C28H32O4/c1-17(2)20-16-19-11-12-21-27(3,4)13-8-14-28(21)23(19)25(32-26(28)30)24(20)31-22(29)15-18-9-6-5-7-10-18/h5-7,9-10,16-17,21H,8,11-15H2,1-4H3/t21?,28-/m1/s1
InChIKey WPBGUWULBJTYOR-ZSTWXAJCSA-N
Mol Weight 432.6 g/mol
Molecular Formula C28H32O4
Exact Mass 432.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45ZZPMT82sN
Name Carnosic acid .gamma.-lactone 12-phenylacetate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O4
InChI InChI=1S/C28H32O4/c1-17(2)20-16-19-11-12-21-27(3,4)13-8-14-28(21)23(19)25(32-26(28)30)24(20)31-22(29)15-18-9-6-5-7-10-18/h5-7,9-10,16-17,21H,8,11-15H2,1-4H3/t21?,28-/m1/s1
InChIKey WPBGUWULBJTYOR-ZSTWXAJCSA-N
Instrument Name VG Micromass ZAB-2F
Ionization Type EI
Literature Reference DOI 10.1021/np900822x
Molecular Weight 432.560 g/mol
Optical Rotation [a]D20 = +59 (c = 0.20, CHCl3)
Reported Formula C27H32O4
SMILES c1(OC(Cc2ccccc2)=O)c2OC(=O)[C@]34c2c(cc1C(C)C)CCC4C(C)(C)CCC3
SPLASH splash10-000i-1090100000-130936a808c3d81bdd46
Source of Spectrum G4-73-642-16
Wiley ID 1846423