2-[(5S,6R)-5-[2,4-bis(oxidanyl)phenyl]-3-methyl-6-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]carbonyl-cyclohex-2-en-1-yl]-5a-(3-methylbut-2-enyl)-1,3,8,10a-tetrakis(oxidanyl)-[1]benzofuro[3,2-b]chromen-11-one

Systemtic Name: 2-[(5S,6R)-5-[2,4-bis(oxidanyl)phenyl]-3-methyl-6-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]carbonyl-cyclohex-2-en-1-yl]-5a-(3-methylbut-2-enyl)-1,3,8,10a-tetrakis(oxidanyl)-[1]benzofuro[3,2-b]chromen-11-one Openeye Name: 2-[(5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-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 CAS Name: 2-[(5S,6R)-6-[[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-oxomethyl]-5-(2,4-dihydroxyphenyl)-3-methyl-1-cyclohex-2-enyl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-11-benzofuro[3,2-b][1]benzopyranone IUPAC Name: 2-[(5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-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 Traditional Name: 2-[(5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-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 Formula: C45H44O12 MolecularWeight: 776.82366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C5C(=C4O)C(=O)C6(C(O5)(C7=C(O6)C=C(C=C7)O)CC=C(C)C)O)O

Isomeric SMILES

CC1=CC([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C5C(=C4O)C(=O)C6(C(O5)(C7=C(O6)C=C(C=C7)O)CC=C(C)C)O)O

InChI

InChI=1S/C45H44O12/c1-21(2)6-9-27-32(48)13-11-28(40(27)51)41(52)37-29(26-10-7-24(46)18-33(26)49)16-23(5)17-30(37)38-34(50)20-36-39(42(38)53)43(54)45(55)44(56-36,15-14-22(3)4)31-12-8-25(47)19-35(31)57-45/h6-8,10-14,17-20,29-30,37,46-51,53,55H,9,15-16H2,1-5H3/t29-,30?,37-,44?,45?/m1/s1