[3-acetyloxy-4-[(5S,6S)-5-[5,7-diacetyloxy-2-(2,4-diacetyloxyphenyl)-3-(3-methylbut-2-enyl)-4-oxidanylidene-chromen-8-yl]-6-[2,4-diacetyloxy-3-(3-methylbut-2-enyl)phenyl]carbonyl-3-methyl-cyclohex-3-en-1-yl]phenyl] ethanoate

Systemtic Name: [3-acetyloxy-4-[(5S,6S)-5-[5,7-diacetyloxy-2-(2,4-diacetyloxyphenyl)-3-(3-methylbut-2-enyl)-4-oxidanylidene-chromen-8-yl]-6-[2,4-diacetyloxy-3-(3-methylbut-2-enyl)phenyl]carbonyl-3-methyl-cyclohex-3-en-1-yl]phenyl] ethanoate Openeye Name: [3-acetoxy-4-[(5S,6S)-5-[5,7-diacetoxy-2-(2,4-diacetoxyphenyl)-3-(3-methylbut-2-enyl)-4-oxo-chromen-8-yl]-6-[2,4-diacetoxy-3-(3-methylbut-2-enyl)benzoyl]-3-methyl-cyclohex-3-en-1-yl]phenyl] acetate CAS Name: acetic acid [3-acetyloxy-4-[(5S,6S)-5-[5,7-diacetyloxy-2-(2,4-diacetyloxyphenyl)-3-(3-methylbut-2-enyl)-4-oxo-1-benzopyran-8-yl]-6-[[2,4-diacetyloxy-3-(3-methylbut-2-enyl)phenyl]-oxomethyl]-3-methyl-1-cyclohex-3-enyl]phenyl] ester IUPAC Name: [3-acetyloxy-4-[(5S,6S)-5-[5,7-diacetyloxy-2-(2,4-diacetyloxyphenyl)-3-(3-methylbut-2-enyl)-4-oxochromen-8-yl]-6-[2,4-diacetyloxy-3-(3-methylbut-2-enyl)benzoyl]-3-methylcyclohex-3-en-1-yl]phenyl] acetate Traditional Name: acetic acid [3-acetoxy-4-[(5S,6S)-5-[5,7-diacetoxy-2-(2,4-diacetoxyphenyl)-4-keto-3-(3-methylbut-2-enyl)chromen-8-yl]-6-[2,4-diacetoxy-3-(3-methylbut-2-enyl)benzoyl]-3-methyl-cyclohex-3-en-1-yl]phenyl] ester Formula: C61H60O19 MolecularWeight: 1097.1177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(C1)C2=C(C=C(C=C2)OC(=O)C)OC(=O)C)C(=O)C3=C(C(=C(C=C3)OC(=O)C)CC=C(C)C)OC(=O)C)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C[C@@H]([C@H](C(C1)C2=C(C=C(C=C2)OC(=O)C)OC(=O)C)C(=O)C3=C(C(=C(C=C3)OC(=O)C)CC=C(C)C)OC(=O)C)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C61H60O19/c1-29(2)14-18-43-49(74-34(8)64)23-22-46(59(43)79-39(13)69)57(70)54-47(42-20-16-40(72-32(6)62)26-50(42)75-35(9)65)24-31(5)25-48(54)55-52(77-37(11)67)28-53(78-38(12)68)56-58(71)45(19-15-30(3)4)60(80-61(55)56)44-21-17-41(73-33(7)63)27-51(44)76-36(10)66/h14-17,20-23,25-28,47-48,54H,18-19,24H2,1-13H3/t47?,48-,54-/m0/s1