[1-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-17-(6-methyl-5-oxidanyl-heptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [1-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-17-(6-methyl-5-oxidanyl-heptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate Openeye Name: [1-(2,2-dimethylpropanoyloxy)-17-(4-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-(2,2-dimethyl-1-oxopropoxy)-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [1-(2,2-dimethylpropanoyloxy)-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [17-(4-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1-pivaloyloxy-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C37H60O5 MolecularWeight: 584.8693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)C)C)O

Isomeric SMILES

CC(C)C(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)C)C)O

InChI

InChI=1S/C37H60O5/c1-22(2)30(38)17-12-23(3)27-15-16-28-26-14-13-24-20-25(41-32(39)34(4,5)6)21-31(42-33(40)35(7,8)9)37(24,11)29(26)18-19-36(27,28)10/h13-14,22-23,25,27-31,38H,12,15-21H2,1-11H3