[(3S,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] 4,9-dimethyl-2-oxidanylidene-furo[2,3-h]chromene-8-carboxylate

Systemtic Name: [(3S,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] 4,9-dimethyl-2-oxidanylidene-furo[2,3-h]chromene-8-carboxylate Openeye Name: [(3S,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] 4,9-dimethyl-2-oxo-furo[2,3-h]chromene-8-carboxylate CAS Name: 4,9-dimethyl-2-oxo-8-furo[2,3-h][1]benzopyrancarboxylic acid [(3S,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: [(3S,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] 4,9-dimethyl-2-oxofuro[2,3-h]chromene-8-carboxylate Traditional Name: 2-keto-4,9-dimethyl-furo[2,3-h]chromene-8-carboxylic acid [(3S,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: C41H54O5 MolecularWeight: 626.86446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C(=O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CCC7C(C)CCCC(C)C)C)C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C(=O)O[C@H]4CC[C@@]5([C@H]6CC[C@]7([C@H]([C@@H]6CC=C5C4)CC[C@@H]7[C@H](C)CCCC(C)C)C)C)C

InChI

InChI=1S/C41H54O5/c1-23(2)9-8-10-24(3)31-14-15-32-30-12-11-27-22-28(17-19-40(27,6)33(30)18-20-41(31,32)7)44-39(43)37-26(5)36-34(45-37)16-13-29-25(4)21-35(42)46-38(29)36/h11,13,16,21,23-24,28,30-33H,8-10,12,14-15,17-20,22H2,1-7H3/t24-,28+,30+,31-,32+,33+,40+,41-/m1/s1