[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-5a,5b,8,8,11a,13a-hexamethyl-13-oxidanyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] ethanoate

Systemtic Name: [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-5a,5b,8,8,11a,13a-hexamethyl-13-oxidanyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] ethanoate Openeye Name: [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetoxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e]isobenzofuran-4-yl] acetate CAS Name: acetic acid [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e]isobenzofuran-4-yl] ester IUPAC Name: [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate Traditional Name: acetic acid [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetoxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthr[2,1-e]isobenzofuran-4-yl] ester Formula: C30H46O6 MolecularWeight: 502.68264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C3(CCC4C(CCCC4(C3CC(C2(C5C1=COC5OC(=O)C)C)O)C)(C)C)C)C

Isomeric SMILES

CC(=O)O[C@H]1C[C@]2([C@@]3(CC[C@@H]4[C@@]([C@H]3C[C@H]([C@@]2(C5C1=CO[C@H]5OC(=O)C)C)O)(CCCC4(C)C)C)C)C

InChI

InChI=1S/C30H46O6/c1-17(31)35-20-15-29(7)28(6)13-10-21-26(3,4)11-9-12-27(21,5)22(28)14-23(33)30(29,8)24-19(20)16-34-25(24)36-18(2)32/h16,20-25,33H,9-15H2,1-8H3/t20-,21-,22+,23+,24?,25-,27-,28+,29-,30+/m0/s1