17-ethynyl-13-hexadecyl-3-methoxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-ol

Systemtic Name: 17-ethynyl-13-hexadecyl-3-methoxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-ol Openeye Name: 17-ethynyl-13-hexadecyl-3-methoxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-ol CAS Name: 17-ethynyl-13-hexadecyl-3-methoxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-ol IUPAC Name: 17-ethynyl-13-hexadecyl-3-methoxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-ol Traditional Name: 13-cetyl-17-ethynyl-3-methoxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-ol Formula: C36H54O2 MolecularWeight: 518.81276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC12CCC3=C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCC12CCC3=C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C36H54O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-35-26-23-32-31-22-20-30(38-3)28-29(31)19-21-33(32)34(35)24-27-36(35,37)5-2/h2,20,22,28,34,37H,4,6-19,21,23-27H2,1,3H3