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[2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 3',4'-dihydro-3,5,7-trihydroxy-5'-methoxy-2',2'-dimethyl-, (2S-trans)-
SpectraBase Compound ID HO7nZfHkRcv
InChI InChI=1S/C21H22O7/c1-21(2)7-6-11-14(28-21)5-4-12(19(11)26-3)20-18(25)17(24)16-13(23)8-10(22)9-15(16)27-20/h4-5,8-9,18,20,22-23,25H,6-7H2,1-3H3
InChIKey YHHFASAPALHSER-UHFFFAOYSA-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 7ASTOmQO8st
Name [2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 3',4'-dihydro-3,5,7-trihydroxy-5'-methoxy-2',2'-dimethyl-, (2S-trans)-
Alternate Name(s) 2-(5-Methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one 3,5,7-trihydroxy-2-(5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3,4-dihydro-2H-1-benzopyran-4-one 3,5,7-trihydroxy-2-(5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-dihydrochromen-4-one 3,5,7-trihydroxy-2-(5-methoxy-2,2-dimethyl-chroman-6-yl)chroman-4-one
CAS Registry Number 62499-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-21(2)7-6-11-14(28-21)5-4-12(19(11)26-3)20-18(25)17(24)16-13(23)8-10(22)9-15(16)27-20/h4-5,8-9,18,20,22-23,25H,6-7H2,1-3H3
InChIKey YHHFASAPALHSER-UHFFFAOYSA-N
Molecular Weight 386.400 g/mol
SMILES Oc1cc(c2c(c1)OC(C(C2=O)O)c1ccc2c(CCC(C)(C)O2)c1OC)O
SPLASH splash10-014j-2791000000-88ea655220d1d44608f6
Source of Spectrum W5-32874-32662-32662
Wiley ID 1362593