(phenylmethyl) (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-10,13-dimethyl-7,12-bis(oxidanyl)-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,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-10,13-dimethyl-7,12-bis(oxidanyl)-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,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-7,12-dihydroxy-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,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[bis(2-chloroethyl)amino-oxomethoxy]-7,12-dihydroxy-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,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-7,12-dihydroxy-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,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[bis(2-chloroethyl)carbamoyloxy]-7,12-dihydroxy-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: C36H53Cl2NO6 MolecularWeight: 666.71512

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OCC1=CC=CC=C1)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)OC(=O)N(CCCl)CCCl)C)O)O)C

Isomeric SMILES

C[C@H](CCC(=O)OCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)OC(=O)N(CCCl)CCCl)C)O)O)C

InChI

InChI=1S/C36H53Cl2NO6/c1-23(9-12-32(42)44-22-24-7-5-4-6-8-24)27-10-11-28-33-29(21-31(41)36(27,28)3)35(2)14-13-26(19-25(35)20-30(33)40)45-34(43)39(17-15-37)18-16-38/h4-8,23,25-31,33,40-41H,9-22H2,1-3H3/t23-,25+,26-,27-,28+,29+,30-,31+,33+,35+,36-/m1/s1