[(3S,5R,8R,10S,13R,14S,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxidanyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [(3S,5R,8R,10S,13R,14S,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxidanyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [(3S,5R,8R,10S,13R,14S,15S,17R)-17-[(1R)-1,5-dimethylhexyl]-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [(3S,5R,8R,10S,13R,14S,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,8R,10S,13R,14S,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [(3S,5R,8R,10S,13R,14S,15S,17R)-17-[(1R)-1,5-dimethylhexyl]-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C37H56O3 MolecularWeight: 548.83874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CC(C2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC(=O)C5=CC=CC=C5)C)C)C)O

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C5=CC=CC=C5)C)C)C)O

InChI

InChI=1S/C37H56O3/c1-24(2)13-12-14-25(3)29-23-31(38)37(8)28-17-18-30-34(4,5)32(40-33(39)26-15-10-9-11-16-26)20-21-35(30,6)27(28)19-22-36(29,37)7/h9-11,15-16,19,24-25,28-32,38H,12-14,17-18,20-23H2,1-8H3/t25-,28-,29-,30+,31+,32+,35-,36-,37-/m1/s1