(6R)-6-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-ol

Systemtic Name: (6R)-6-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-ol Openeye Name: (6R)-6-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-ol CAS Name: (6R)-6-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-heptanol IUPAC Name: (6R)-6-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-ol Traditional Name: (6R)-6-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-ol Formula: C37H72N4O MolecularWeight: 588.99378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NCCCNCCCCNCCCN)C)C)O

Isomeric SMILES

C[C@H](CCC(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NCCCNCCCCNCCCN)C)C

InChI

InChI=1S/C37H72N4O/c1-27(2)35(42)15-10-28(3)32-13-14-33-31-12-11-29-26-30(16-18-36(29,4)34(31)17-19-37(32,33)5)41-25-9-24-40-22-7-6-21-39-23-8-20-38/h27-35,39-42H,6-26,38H2,1-5H3/t28-,29+,30-,31+,32-,33+,34+,35?,36+,37-/m1/s1