[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(4,4-dimethyl-3-oxidanyl-2-undecyl-1,3-oxazolidin-2-yl)butanoate

Systemtic Name: [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(4,4-dimethyl-3-oxidanyl-2-undecyl-1,3-oxazolidin-2-yl)butanoate Openeye Name: [(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-4,4-dimethyl-2-undecyl-oxazolidin-2-yl)butanoate CAS Name: 4-(3-hydroxy-4,4-dimethyl-2-undecyl-2-oxazolidinyl)butanoic acid [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-4,4-dimethyl-2-undecyl-1,3-oxazolidin-2-yl)butanoate Traditional Name: 4-(3-hydroxy-4,4-dimethyl-2-undecyl-oxazolidin-2-yl)butyric acid [(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C47H83NO4 MolecularWeight: 726.16622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1(N(C(CO1)(C)C)O)CCCC(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C

Isomeric SMILES

CCCCCCCCCCCC1(N(C(CO1)(C)C)O)CCCC(=O)OC2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C47H83NO4/c1-9-10-11-12-13-14-15-16-17-29-47(48(50)44(5,6)34-51-47)30-19-22-43(49)52-38-27-31-45(7)37(33-38)23-24-39-41-26-25-40(36(4)21-18-20-35(2)3)46(41,8)32-28-42(39)45/h23,35-36,38-42,50H,9-22,24-34H2,1-8H3/t36-,38?,39+,40-,41+,42+,45+,46-,47?/m1/s1