(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetyloxy-9-[[(E)-3-(4-acetyloxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Systemtic Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetyloxy-9-[[(E)-3-(4-acetyloxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Openeye Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetoxy-9-[[(E)-3-(4-acetoxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetyloxy-9-[[(E)-3-(4-acetyloxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetyloxy-9-[[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Traditional Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetoxy-9-[[(E)-3-(4-acetoxy-3-methoxy-phenyl)acryloyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Formula: C44H60O9 MolecularWeight: 732.9418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)COC(=O)C=CC6=CC(=C(C=C6)OC(=O)C)OC)OC(=O)C)C)C)C2C1C)C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)COC(=O)/C=C/C6=CC(=C(C=C6)OC(=O)C)OC)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C44H60O9/c1-26-16-21-44(39(48)49)23-22-42(7)31(38(44)27(26)2)12-14-35-40(5)19-18-36(53-29(4)46)41(6,34(40)17-20-43(35,42)8)25-51-37(47)15-11-30-10-13-32(52-28(3)45)33(24-30)50-9/h10-13,15,24,26-27,34-36,38H,14,16-23,25H2,1-9H3,(H,48,49)/b15-11+/t26-,27+,34-,35-,36+,38+,40+,41-,42-,43-,44+/m1/s1