[3-acetyloxy-17-[3-methoxy-6-methyl-6-(oxan-2-yloxy)hept-4-yn-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [3-acetyloxy-17-[3-methoxy-6-methyl-6-(oxan-2-yloxy)hept-4-yn-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [3-acetoxy-17-(2-methoxy-1,5-dimethyl-5-tetrahydropyran-2-yloxy-hex-3-ynyl)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [3-acetyloxy-17-[3-methoxy-6-methyl-6-(2-oxanyloxy)hept-4-yn-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [3-acetyloxy-17-[3-methoxy-6-methyl-6-(oxan-2-yloxy)hept-4-yn-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [3-acetoxy-17-(2-methoxy-1,5-dimethyl-5-tetrahydropyran-2-yloxy-hex-3-ynyl)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C37H56O7 MolecularWeight: 612.83634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)(OC(=O)C)OC(=O)C)C)C)C(C#CC(C)(C)OC5CCCCO5)OC

Isomeric SMILES

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)(OC(=O)C)OC(=O)C)C)C)C(C#CC(C)(C)OC5CCCCO5)OC

InChI

InChI=1S/C37H56O7/c1-24(32(40-8)17-18-34(4,5)44-33-11-9-10-22-41-33)29-14-15-30-28-13-12-27-23-37(42-25(2)38,43-26(3)39)21-20-35(27,6)31(28)16-19-36(29,30)7/h12,24,28-33H,9-11,13-16,19-23H2,1-8H3