[(3R,8R,10S,14R,17S)-4,4,8,10,14-pentamethyl-17-[(5S)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-11-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3R,8R,10S,14R,17S)-4,4,8,10,14-pentamethyl-17-[(5S)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-11-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3R,8R,10S,14R,17S)-11-hydroxy-17-[(5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3R,8R,10S,14R,17S)-11-hydroxy-17-[(5S)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,8R,10S,14R,17S)-11-hydroxy-17-[(5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3R,8R,10S,14R,17S)-11-hydroxy-17-[(5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C32H54O5 MolecularWeight: 518.76816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(CC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)C

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C(CC4[C@]3(CC[C@@H]4C5(CC[C@H](O5)C(C)(C)O)C)C)O)C)C

InChI

InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)23(27(24,2)3)11-16-31(8)26(29)22(34)18-21-20(10-15-30(21,31)7)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21?,22?,23?,24+,25-,26?,29-,30+,31+,32?/m0/s1