[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: [17-(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] 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-2-methyl-4-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]acetic acid [10,13-dimethyl-17-(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: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-2-methyl-4-oxochromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-4-keto-2-methyl-chromen-7-yl]oxyacetic acid [17-(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: C48H62O8 MolecularWeight: 767.00108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)OC7=CC8=C(C=C7)OCCCO8

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)OC7=CC8=C(C=C7)OCCCO8

InChI

InChI=1S/C48H62O8/c1-29(2)9-7-10-30(3)38-16-17-39-36-14-11-32-25-35(19-21-47(32,5)40(36)20-22-48(38,39)6)55-44(49)28-53-33-12-15-37-42(26-33)54-31(4)46(45(37)50)56-34-13-18-41-43(27-34)52-24-8-23-51-41/h11-13,15,18,26-27,29-30,35-36,38-40H,7-10,14,16-17,19-25,28H2,1-6H3