(3R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(prop-2-enoxy)-17-[(2R)-5-(triphenylmethyl)oxypentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Systemtic Name: (3R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(prop-2-enoxy)-17-[(2R)-5-(triphenylmethyl)oxypentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Openeye Name: (3R,8R,9S,10S,12S,13R,14S,17R)-3,12-diallyloxy-10,13-dimethyl-17-[(1R)-1-methyl-4-trityloxy-butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene CAS Name: (3R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(prop-2-enoxy)-17-[(2R)-5-(triphenylmethyl)oxypentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene IUPAC Name: (3R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(prop-2-enoxy)-17-[(2R)-5-trityloxypentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Traditional Name: (3R,8R,9S,10S,12S,13R,14S,17R)-3,12-diallyloxy-10,13-dimethyl-17-[(1R)-1-methyl-4-trityloxy-butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Formula: C49H64O3 MolecularWeight: 701.03066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4CCC5C4(C(CC6C5CCC7C6(CCC(C7)OCC=C)C)OCC=C)C

Isomeric SMILES

C[C@H](CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5CCC7[C@@]6(CC[C@H](C7)OCC=C)C)OCC=C)C

InChI

InChI=1S/C49H64O3/c1-6-31-50-41-29-30-47(4)40(34-41)25-26-42-44-28-27-43(48(44,5)46(35-45(42)47)51-32-7-2)36(3)18-17-33-52-49(37-19-11-8-12-20-37,38-21-13-9-14-22-38)39-23-15-10-16-24-39/h6-16,19-24,36,40-46H,1-2,17-18,25-35H2,3-5H3/t36-,40?,41-,42+,43-,44+,45+,46+,47+,48-/m1/s1