[(1S,3S,3aR,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-1,13-diacetyloxy-3,5b,8,8,11a,13a-hexamethyl-1,3,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e][2]benzofuran-4-yl] ethanoate

Systemtic Name: [(1S,3S,3aR,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-1,13-diacetyloxy-3,5b,8,8,11a,13a-hexamethyl-1,3,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e][2]benzofuran-4-yl] ethanoate Openeye Name: [(1S,3S,3aR,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-1,13-diacetoxy-3,5b,8,8,11a,13a-hexamethyl-1,3,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e]isobenzofuran-4-yl] acetate CAS Name: acetic acid [(1S,3S,3aR,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-1,13-diacetyloxy-3,5b,8,8,11a,13a-hexamethyl-1,3,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e]isobenzofuran-4-yl] ester IUPAC Name: [(1S,3S,3aR,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-1,13-diacetyloxy-3,5b,8,8,11a,13a-hexamethyl-1,3,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate Traditional Name: acetic acid [(1S,3S,3aR,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-1,13-diacetoxy-3,5b,8,8,11a,13a-hexamethyl-1,3,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrophenanthr[2,1-e]isobenzofuran-4-yl] ester Formula: C32H50O7 MolecularWeight: 546.7352

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC3C4(CCC5C(CCCC5(C4CC(C3(C2C(O1)OC(=O)C)C)OC(=O)C)C)(C)C)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@]4(CC[C@@H]5[C@@]([C@H]4C[C@@H]([C@@]3([C@H]2[C@@H](O1)OC(=O)C)C)OC(=O)C)(CCCC5(C)C)C)C)OC(=O)C

InChI

InChI=1S/C32H50O7/c1-17-26-21(37-18(2)33)15-24-31(8)14-11-22-29(5,6)12-10-13-30(22,7)23(31)16-25(38-19(3)34)32(24,9)27(26)28(36-17)39-20(4)35/h17,21-28H,10-16H2,1-9H3/t17-,21-,22-,23+,24-,25-,26+,27+,28-,30-,31+,32+/m0/s1