(phenylmethyl) (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: (phenylmethyl) (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: benzyl (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-[bis(2-chloroethyl)amino-oxomethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid benzyl ester Formula: C36H53Cl2NO4 MolecularWeight: 634.71632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OCC1=CC=CC=C1)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)OC(=O)N(CCCl)CCCl)C)C

Isomeric SMILES

C[C@H](CCC(=O)OCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CC[C@H](C5)OC(=O)N(CCCl)CCCl)C)C

InChI

InChI=1S/C36H53Cl2NO4/c1-25(9-14-33(40)42-24-26-7-5-4-6-8-26)30-12-13-31-29-11-10-27-23-28(43-34(41)39(21-19-37)22-20-38)15-17-35(27,2)32(29)16-18-36(30,31)3/h4-8,25,27-32H,9-24H2,1-3H3/t25-,27?,28-,29+,30-,31+,32+,35+,36-/m1/s1