octyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-azanylpropanoyloxy)-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: octyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-azanylpropanoyloxy)-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: octyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-aminopropanoyloxy)-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,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-amino-1-oxopropoxy)-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 octyl ester IUPAC Name: octyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-aminopropanoyloxy)-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,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-aminopropanoyloxy)-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 octyl ester Formula: C41H71N3O8 MolecularWeight: 734.01774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)CCN)C)OC(=O)CCN)OC(=O)CCN)C

Isomeric SMILES

CCCCCCCCOC(=O)CC[C@@H](C)[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)CCN)C)OC(=O)CCN)OC(=O)CCN)C

InChI

InChI=1S/C41H71N3O8/c1-5-6-7-8-9-10-23-49-35(45)14-11-27(2)30-12-13-31-39-32(26-34(41(30,31)4)52-38(48)18-22-44)40(3)19-15-29(50-36(46)16-20-42)24-28(40)25-33(39)51-37(47)17-21-43/h27-34,39H,5-26,42-44H2,1-4H3/t27-,28+,29-,30-,31+,32+,33-,34+,39+,40+,41-/m1/s1