[(2S,4aR,4bR,8aR,10aR)-1,1,4a,7,8a-pentamethyl-8-[[3-methyl-2,5-bis(oxidanyl)phenyl]methyl]-6-oxidanylidene-2,3,4,4b,5,9,10,10a-octahydrophenanthren-2-yl] benzoate

Systemtic Name: [(2S,4aR,4bR,8aR,10aR)-1,1,4a,7,8a-pentamethyl-8-[[3-methyl-2,5-bis(oxidanyl)phenyl]methyl]-6-oxidanylidene-2,3,4,4b,5,9,10,10a-octahydrophenanthren-2-yl] benzoate Openeye Name: [(2S,4aR,4bR,8aR,10aR)-8-[(2,5-dihydroxy-3-methyl-phenyl)methyl]-1,1,4a,7,8a-pentamethyl-6-oxo-2,3,4,4b,5,9,10,10a-octahydrophenanthren-2-yl] benzoate CAS Name: benzoic acid [(2S,4aR,4bR,8aR,10aR)-8-[(2,5-dihydroxy-3-methylphenyl)methyl]-1,1,4a,7,8a-pentamethyl-6-oxo-2,3,4,4b,5,9,10,10a-octahydrophenanthren-2-yl] ester IUPAC Name: [(2S,4aR,4bR,8aR,10aR)-8-[(2,5-dihydroxy-3-methylphenyl)methyl]-1,1,4a,7,8a-pentamethyl-6-oxo-2,3,4,4b,5,9,10,10a-octahydrophenanthren-2-yl] benzoate Traditional Name: benzoic acid [(2S,4aR,4bR,8aR,10aR)-8-(2,5-dihydroxy-3-methyl-benzyl)-6-keto-1,1,4a,7,8a-pentamethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthren-2-yl] ester Formula: C34H42O5 MolecularWeight: 530.69428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)CC2=C(C(=O)CC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C5=CC=CC=C5)C)C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1O)CC2=C(C(=O)C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C5=CC=CC=C5)C)C)C)O

InChI

InChI=1S/C34H42O5/c1-20-16-24(35)17-23(30(20)37)18-25-21(2)26(36)19-28-33(25,5)14-12-27-32(3,4)29(13-15-34(27,28)6)39-31(38)22-10-8-7-9-11-22/h7-11,16-17,27-29,35,37H,12-15,18-19H2,1-6H3/t27-,28-,29-,33-,34-/m0/s1