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

Systemtic Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-(acetyloxymethyl)-10-[(E)-3-(4-acetyloxyphenyl)prop-2-enoyl]oxy-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Openeye Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-(acetoxymethyl)-10-[(E)-3-(4-acetoxyphenyl)prop-2-enoyl]oxy-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid CAS Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-(acetyloxymethyl)-10-[(E)-3-(4-acetyloxyphenyl)-1-oxoprop-2-enoxy]-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid IUPAC Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-(acetyloxymethyl)-10-[(E)-3-(4-acetyloxyphenyl)prop-2-enoyl]oxy-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Traditional Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-(acetoxymethyl)-10-[(E)-3-(4-acetoxyphenyl)acryloyl]oxy-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Formula: C43H58O8 MolecularWeight: 702.91582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC2(C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC=C(C=C6)OC(=O)C)C)C(=O)O)COC(=O)C

Isomeric SMILES

C[C@H]1[C@@H](CC[C@]2([C@@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC=C(C=C6)OC(=O)C)C)C(=O)O)COC(=O)C

InChI

InChI=1S/C43H58O8/c1-26-30(25-49-27(2)44)17-22-43(38(47)48)24-23-41(7)32(37(26)43)14-15-34-40(6)20-19-35(39(4,5)33(40)18-21-42(34,41)8)51-36(46)16-11-29-9-12-31(13-10-29)50-28(3)45/h9-14,16,26,30,33-35,37H,15,17-25H2,1-8H3,(H,47,48)/b16-11+/t26-,30-,33-,34+,35-,37-,40-,41+,42+,43-/m0/s1