(1R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxy-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylidene-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione

Systemtic Name: (1R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxy-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylidene-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione Openeye Name: (1R,4R,6R,7R,8S,9S,10R,13R,14S)-9-[(4R,5S,6S)-5-benzyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-methylene-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione CAS Name: (1R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-9-[[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxy-2-oxanyl]oxy]-2,4,6,8,10,14-hexamethyl-17-methylene-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione IUPAC Name: (1R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylidene-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione Traditional Name: (1R,4R,6R,7R,8S,9S,10R,13R,14S)-9-[(4R,5S,6S)-5-benzoxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-methylene-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-quinone Formula: C48H77NO12 MolecularWeight: 860.12448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OCC4=CC=CC=C4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)C(=C)CO2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@H](C(C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3C[C@@]([C@H]([C@@H](O3)C)OCC4=CC=CC=C4)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)C(=C)CO2)C

InChI

InChI=1S/C48H77NO12/c1-16-36-48(11)38(28(3)25-56-48)30(5)39(50)27(2)23-46(9,53-14)42(61-45-40(51)35(49(12)13)22-29(4)57-45)31(6)41(32(7)44(52)59-36)60-37-24-47(10,54-15)43(33(8)58-37)55-26-34-20-18-17-19-21-34/h17-21,27,29-33,35-38,40-43,45,51H,3,16,22-26H2,1-2,4-15H3/t27-,29-,30?,31+,32-,33+,35+,36-,37?,38+,40-,41+,42-,43+,45+,46-,47-,48-/m1/s1