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3'(R)-Acetoxy-4'(S)-angeloyloxy-3',4'-dihydroseselin
SpectraBase Compound ID IuEm8i9obGN
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m0/s1
InChIKey LYUZYPKZQDYMEE-CIRUDOSSSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cRLJYgRQO
Name 3'(R)-Acetoxy-4'(S)-angeloyloxy-3',4'-dihydroseselin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m0/s1
InChIKey LYUZYPKZQDYMEE-CIRUDOSSSA-N
Molecular Weight 386.400 g/mol
SMILES c12[C@@]([C@@](OC(=O)C)(C(Oc2ccc2c1OC(=O)C=C2)(C)C)[H])(OC(\C(=C/C)C)=O)[H]
SPLASH splash10-003r-8090000000-9161a3a5d29e6f5205ea
Source of Spectrum O1-60-604-2
Synonyms (Z)-2-methyl-2-butenoic acid [(9R,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester [(9R,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate [(9R,10S)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate [(9R,10S)-9-acetyloxy-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
Wiley ID 1591937