[17-ethanoyl-3-[5-[5-(5-methanoyl-4-methoxy-3,6-dimethyl-oxan-2-yl)oxy-4-methoxy-6-methyl-3-phenylsulfanyl-oxan-2-yl]oxy-4-methoxy-6-methyl-3-phenylsulfanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate

Systemtic Name: [17-ethanoyl-3-[5-[5-(5-methanoyl-4-methoxy-3,6-dimethyl-oxan-2-yl)oxy-4-methoxy-6-methyl-3-phenylsulfanyl-oxan-2-yl]oxy-4-methoxy-6-methyl-3-phenylsulfanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate Openeye Name: [17-acetyl-3-[5-[5-(5-formyl-4-methoxy-3,6-dimethyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-3-phenylsulfanyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-3-phenylsulfanyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid [17-acetyl-3-[[5-[[5-[(5-formyl-4-methoxy-3,6-dimethyl-2-oxanyl)oxy]-4-methoxy-6-methyl-3-(phenylthio)-2-oxanyl]oxy]-4-methoxy-6-methyl-3-(phenylthio)-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] ester IUPAC Name: [17-acetyl-3-[5-[5-(5-formyl-4-methoxy-3,6-dimethyloxan-2-yl)oxy-4-methoxy-6-methyl-3-phenylsulfanyloxan-2-yl]oxy-4-methoxy-6-methyl-3-phenylsulfanyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid [17-acetyl-3-[5-[5-(5-formyl-4-methoxy-3,6-dimethyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-3-(phenylthio)tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-3-(phenylthio)tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] ester Formula: C61H84O14S2 MolecularWeight: 1105.44126

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1CC2C(CC=C3C2(CCC(C3)OC4C(C(C(C(O4)C)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)C)C=O)OC)C)OC)SC7=CC=CC=C7)OC)SC8=CC=CC=C8)C)C9(C1(C(CC9)C(=O)C)C)O

Isomeric SMILES

C/C=C(\C)/C(=O)OC1CC2C(CC=C3C2(CCC(C3)OC4C(C(C(C(O4)C)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)C)C=O)OC)C)OC)SC7=CC=CC=C7)OC)SC8=CC=CC=C8)C)C9(C1(C(CC9)C(=O)C)C)O

InChI

InChI=1S/C61H84O14S2/c1-13-33(2)55(64)73-47-31-46-45(61(65)29-27-44(35(4)63)60(47,61)9)25-24-39-30-40(26-28-59(39,46)8)72-57-53(76-41-20-16-14-17-21-41)52(68-12)50(38(7)70-57)75-58-54(77-42-22-18-15-19-23-42)51(67-11)49(37(6)71-58)74-56-34(3)48(66-10)43(32-62)36(5)69-56/h13-24,32,34,36-38,40,43-54,56-58,65H,25-31H2,1-12H3/b33-13+