1-[12-acetyloxy-3-[4-methoxy-5-[4-methoxy-5-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-14,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate

Systemtic Name: 1-[12-acetyloxy-3-[4-methoxy-5-[4-methoxy-5-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-14,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate Openeye Name: 1-[12-acetoxy-14,17-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate CAS Name: benzoic acid 1-[12-acetyloxy-14,17-dihydroxy-3-[[5-[[5-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl ester IUPAC Name: 1-[12-acetyloxy-14,17-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate Traditional Name: benzoic acid 1-[12-acetoxy-14,17-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl ester Formula: C51H78O16 MolecularWeight: 947.15542

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7(C(C)OC(=O)C8=CC=CC=C8)O)O)C)OC(=O)C)C)C)C)OC)O

Isomeric SMILES

CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7(C(C)OC(=O)C8=CC=CC=C8)O)O)C)OC(=O)C)C)C)C)OC)O

InChI

InChI=1S/C51H78O16/c1-27-44(53)37(57-8)24-42(60-27)66-46-29(3)62-43(26-39(46)59-10)67-45-28(2)61-41(25-38(45)58-9)65-34-18-19-48(6)33(22-34)16-17-35-36(48)23-40(64-31(5)52)49(7)50(55,20-21-51(35,49)56)30(4)63-47(54)32-14-12-11-13-15-32/h11-15,27-30,33-46,53,55-56H,16-26H2,1-10H3