methyl (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: methyl (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: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C30H49Cl2NO6 MolecularWeight: 590.61916

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)N(CCCl)CCCl)C)O)O)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)N(CCCl)CCCl)C)O)O)C

InChI

InChI=1S/C30H49Cl2NO6/c1-18(5-8-26(36)38-4)21-6-7-22-27-23(17-25(35)30(21,22)3)29(2)10-9-20(15-19(29)16-24(27)34)39-28(37)33(13-11-31)14-12-32/h18-25,27,34-35H,5-17H2,1-4H3/t18-,19+,20-,21-,22+,23+,24-,25+,27+,29+,30-/m1/s1