methyl 4-[3-[[4-[4-[5-(2-methoxy-2-oxidanylidene-ethyl)-3-[[5-methyl-3-[[4-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]butan-2-yl]-2-methyl-cyclopentyl]methyl]-7,10,12,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl 4-[3-[[4-[4-[5-(2-methoxy-2-oxidanylidene-ethyl)-3-[[5-methyl-3-[[4-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]butan-2-yl]-2-methyl-cyclopentyl]methyl]-7,10,12,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl 4-[3-[[4-[3-[5-(2-methoxy-2-oxo-ethyl)-3-[[5-methyl-3-[(4-methyl-2,5-dioxo-tetrahydrofuran-3-yl)methyl]norbornan-2-yl]methyl]norbornan-2-yl]-1-methyl-propyl]-2-methyl-cyclopentyl]methyl]-7,10,12,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: 4-[3-[[4-[4-[5-(2-methoxy-2-oxoethyl)-3-[[5-methyl-3-[(4-methyl-2,5-dioxo-3-oxolanyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]butan-2-yl]-2-methylcyclopentyl]methyl]-7,10,12,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl 4-[3-[[4-[4-[5-(2-methoxy-2-oxoethyl)-3-[[5-methyl-3-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]butan-2-yl]-2-methylcyclopentyl]methyl]-7,10,12,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: 4-[3-[[4-[3-[3-[[3-[(2,5-diketo-4-methyl-tetrahydrofuran-3-yl)methyl]-5-methyl-norbornan-2-yl]methyl]-5-(2-keto-2-methoxy-ethyl)norbornan-2-yl]-1-methyl-propyl]-2-methyl-cyclopentyl]methyl]-7,10,12,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C63H100O7 MolecularWeight: 969.4639

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CC1C(C2CC3C4CC(C3CCC(C)C5CC(C(C5)CC6CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)OC)C)C)C)C)C)CC4CC(=O)OC)CC1C(C(=O)OC1=O)C

Isomeric SMILES

CC1CC2CC1C(C2CC3C4CC(C3CCC(C)C5CC(C(C5)CC6CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)OC)C)C)C)C)C)CC4CC(=O)OC)CC1C(C(=O)OC1=O)C

InChI

InChI=1S/C63H100O7/c1-33(12-14-47-44-27-45(30-58(65)69-11)50(29-44)52(47)32-51-43-21-36(4)48(28-43)53(51)31-49-39(7)60(66)70-61(49)67)41-20-35(3)42(26-41)24-40-18-19-62(8)46(25-40)22-37(5)59-55-16-15-54(34(2)13-17-57(64)68-10)63(55,9)38(6)23-56(59)62/h33-56,59H,12-32H2,1-11H3