[(E)-3-phenylprop-2-enyl] (2S,4aS,6aR,6aS,6bR,10S,12aS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] (2S,4aS,6aR,6aS,6bR,10S,12aS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Openeye Name: [(E)-cinnamyl] (2S,4aS,6aR,6aS,6bR,10S,12aS)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate CAS Name: (2S,4aS,6aR,6aS,6bR,10S,12aS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (2S,4aS,6aR,6aS,6bR,10S,12aS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Traditional Name: (2S,4aS,6aR,6aS,6bR,10S,12aS)-10-acetoxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid [(E)-cinnamyl] ester Formula: C41H56O5 MolecularWeight: 628.88034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OCC=CC6=CC=CC=C6)C)C)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3C(=O)C=C4C5C[C@@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C(=O)OC/C=C/C6=CC=CC=C6)C

InChI

InChI=1S/C41H56O5/c1-27(42)46-33-17-18-39(6)32(36(33,2)3)16-19-41(8)34(39)31(43)25-29-30-26-38(5,21-20-37(30,4)22-23-40(29,41)7)35(44)45-24-12-15-28-13-10-9-11-14-28/h9-15,25,30,32-34H,16-24,26H2,1-8H3/b15-12+/t30?,32?,33-,34+,37+,38-,39-,40+,41+/m0/s1