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

Systemtic Name: [17-ethanoyl-3-[4-methoxy-5-[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-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14,17-tris(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-methylhex-2-enoate Openeye Name: [17-acetyl-8,14,17-trihydroxy-3-[5-[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-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-methylhex-2-enoate CAS Name: (E)-3-methyl-2-hexenoic acid [17-acetyl-8,14,17-trihydroxy-3-[[5-[[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]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ester IUPAC Name: [17-acetyl-8,14,17-trihydroxy-3-[5-[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-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-methylhex-2-enoate Traditional Name: (E)-3-methylhex-2-enoic acid [17-acetyl-8,14,17-trihydroxy-3-[5-[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-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ester Formula: C56H90O19 MolecularWeight: 1067.3024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC(=O)OC1CC2C3(CCC(CC3=CCC2(C4(C1(C(CC4)(C(=O)C)O)C)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)OC)OC)C)C

Isomeric SMILES

CCC/C(=C/C(=O)OC1CC2C3(CCC(CC3=CCC2(C4(C1(C(CC4)(C(=O)C)O)C)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)OC)OC)C)/C

InChI

InChI=1S/C56H90O19/c1-14-15-29(2)22-43(58)72-42-28-41-52(8)18-17-36(23-35(52)16-19-55(41,61)56(62)21-20-54(60,34(7)57)53(42,56)9)71-44-25-38(64-11)49(31(4)68-44)74-46-27-40(66-13)51(33(6)70-46)75-47-26-39(65-12)50(32(5)69-47)73-45-24-37(63-10)48(59)30(3)67-45/h16,22,30-33,36-42,44-51,59-62H,14-15,17-21,23-28H2,1-13H3/b29-22+