methyl (E,4S)-4-[(3R,5R,7S,8R,9R)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5S)-5-[(3S,5S,6R,8S,9S)-3-(4-methoxyphenyl)-6,8-dimethyl-2,4,10-trioxaspiro[4.5]decan-9-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-pent-2-enoate

Systemtic Name: methyl (E,4S)-4-[(3R,5R,7S,8R,9R)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5S)-5-[(3S,5S,6R,8S,9S)-3-(4-methoxyphenyl)-6,8-dimethyl-2,4,10-trioxaspiro[4.5]decan-9-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-pent-2-enoate Openeye Name: methyl (E,4S)-4-[(3R,5R,7S,8R,9R)-7-benzyloxy-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5S)-5-[(3S,5S,6R,8S,9S)-3-(4-methoxyphenyl)-6,8-dimethyl-2,4,10-trioxaspiro[4.5]decan-9-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-pent-2-enoate CAS Name: (E,4S)-4-[(3R,5R,7S,8R,9R)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5S)-5-[(3S,5S,6R,8S,9S)-3-(4-methoxyphenyl)-6,8-dimethyl-2,4,10-trioxaspiro[4.5]decan-9-yl]-3-methyl-2-oxolanyl]-2-oxolanyl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4S)-4-[(3R,5R,7S,8R,9R)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5S)-5-[(3S,5S,6R,8S,9S)-3-(4-methoxyphenyl)-6,8-dimethyl-2,4,10-trioxaspiro[4.5]decan-9-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-9-yl]-2-methylpent-2-enoate Traditional Name: (E,4S)-4-[(3R,5R,7S,8R,9R)-7-benzoxy-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5S)-5-[(3S,5S,6R,8S,9S)-3-(4-methoxyphenyl)-6,8-dimethyl-2,4,10-trioxaspiro[4.5]decan-9-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-pent-2-enoic acid methyl ester Formula: C51H72O11 MolecularWeight: 861.11078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C=C(C)C(=O)OC)C)OCC4=CC=CC=C4)C)C5C(CC(O5)C6C(CC(C7(O6)COC(O7)C8=CC=C(C=C8)OC)C)C)C

Isomeric SMILES

CC[C@]1(CC[C@@H](O1)[C@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)/C=C(\C)/C(=O)OC)C)OCC4=CC=CC=C4)C)[C@H]5[C@H](C[C@H](O5)[C@@H]6[C@H](C[C@H]([C@@]7(O6)CO[C@@H](O7)C8=CC=C(C=C8)OC)C)C)C

InChI

InChI=1S/C51H72O11/c1-11-49(45-33(4)27-40(57-45)44-32(3)26-35(6)51(60-44)30-56-47(61-51)38-17-19-39(53-9)20-18-38)22-21-42(58-49)48(8)23-24-50(62-48)28-41(55-29-37-15-13-12-14-16-37)36(7)43(59-50)31(2)25-34(5)46(52)54-10/h12-20,25,31-33,35-36,40-45,47H,11,21-24,26-30H2,1-10H3/b34-25+/t31-,32-,33-,35+,36+,40-,41-,42+,43+,44-,45+,47-,48+,49-,50+,51+/m0/s1