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2-[5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)-oxomethyl]-3-methyl-1-cyclohex-2-enyl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-11-benzofuro[3,2-b][1]benzopyranone
SpectraBase Compound ID GFhaLhdQaEt
InChI InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3
InChIKey XETHJOZXBVWLLM-UHFFFAOYSA-N
Mol Weight 708.7 g/mol
Molecular Formula C40H36O12
Exact Mass 708.220677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20CauP9hGvy
Name 2-[5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)-oxomethyl]-3-methyl-1-cyclohex-2-enyl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-11-benzofuro[3,2-b][1]benzopyranone
CAS Registry Number 81422-93-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H36O12
InChI InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3
InChIKey XETHJOZXBVWLLM-UHFFFAOYSA-N
Molecular Weight 708.716 g/mol
SMILES Oc1cc(ccc1C1C(C(c2ccc(cc2O)O)=O)C(C=C(C1)C)c1c(cc2c(c1O)C(C1(C(CC=C(C)C)(c3ccc(cc3O1)O)O2)O)=O)O)O
SPLASH splash10-03di-2590000000-b20edac0297e074920d9
Source of Spectrum M-32-162-10
Synonyms Sanggenon C 2-[5-[2,4-bis(oxidanyl)phenyl]-6-[2,4-bis(oxidanyl)phenyl]carbonyl-3-methyl-cyclohex-2-en-1-yl]-5a-(3-methylbut-2-enyl)-1,3,8,10a-tetrakis(oxidanyl)-[1]benzofuro[3,2-b]chromen-11-one 2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)benzofuro[3,2-b]chromen-11-one 2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
Wiley ID 1415278