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CARNOSIC_ACID_GAMMA_LACTONE_12-ISOBUTYRATE
SpectraBase Compound ID 9alM8Kvuxyp
InChI InChI=1S/C24H32O4/c1-13(2)16-12-15-8-9-17-23(5,6)10-7-11-24(17)18(15)20(28-22(24)26)19(16)27-21(25)14(3)4/h12-14,17H,7-11H2,1-6H3/t17?,24-/m1/s1
InChIKey VBCSMWRGJUBJLO-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 GkVogI5GGgv
Name Carnosic acid .gamma.-lactone 12-isobutyrate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-13(2)16-12-15-8-9-17-23(5,6)10-7-11-24(17)18(15)20(28-22(24)26)19(16)27-21(25)14(3)4/h12-14,17H,7-11H2,1-6H3/t17?,24-/m1/s1
InChIKey VBCSMWRGJUBJLO-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 = +69 (c = 0.19, CHCl3)
Reported Formula C24H32O4
SMILES C1C[C@]23C(C(C1)(C)C)CCc1c3c(c(c(c1)C(C)C)OC(=O)C(C)C)OC2=O
SPLASH splash10-000i-0091000000-25841ad74565f3195e87
Source of Spectrum G4-73-642-7
Wiley ID 1846429