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Obovatin methyl ether
SpectraBase Compound ID 399xrifMUdT
InChI InChI=1S/C21H20O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3/t16-/m0/s1
InChIKey ITOTUSMHIQFNHJ-INIZCTEOSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9bSuKeo8sc
Name Obovatin methyl ether
Alternate Name(s) (2S)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one (2S)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h][1]benzopyran-4-one 4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, 2,3-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-, (S)-
CAS Registry Number 69640-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3/t16-/m0/s1
InChIKey ITOTUSMHIQFNHJ-INIZCTEOSA-N
Molecular Weight 336.387 g/mol
SMILES c12c(C(=O)C[C@](O2)(c2ccccc2)[H])c(OC)cc2c1C=CC(C)(C)O2
SPLASH splash10-014i-0097000000-03bfe597d73e3af190b2
Source of Spectrum W5-1989-12393-1
Wiley ID 1332618