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Isobutyric acid-(3R)- 5-methoxy-3,4-dihydro-2,2,8-trimethyl-6-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl ester
SpectraBase Compound ID CfoOU9FcSMN
InChI InChI=1S/C20H24O6/c1-10(2)19(22)25-16-8-12-14(26-20(16,4)5)9-15-17(18(12)23-6)13(21)7-11(3)24-15/h7,9-10,16H,8H2,1-6H3/t16-/m1/s1
InChIKey YLXXSWJDIFLXSG-MRXNPFEDSA-N
Mol Weight 360.41 g/mol
Molecular Formula C20H24O6
Exact Mass 360.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZ7yhiUvY7u
Name Isobutyric acid-(3R)- 5-methoxy-3,4-dihydro-2,2,8-trimethyl-6-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl ester
Appearance Vitreous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-10(2)19(22)25-16-8-12-14(26-20(16,4)5)9-15-17(18(12)23-6)13(21)7-11(3)24-15/h7,9-10,16H,8H2,1-6H3/t16-/m1/s1
InChIKey YLXXSWJDIFLXSG-MRXNPFEDSA-N
Instrument Name JEOL JMS-AX505HA
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/np010448t
Molecular Weight 360.406 g/mol
Optical Rotation [a]D20 = +560 (c = 1, CHCl3)
SMILES c12cc3c(c(c2C[C@](C(O1)(C)C)(OC(=O)C(C)C)[H])OC)C(C=C(O3)C)=O
SPLASH splash10-0r30-0090000000-bd37065cdc0d12078909
Source of Spectrum G4-65-SM34-12
Wiley ID 1883676