methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5R,6R)-4-(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)-3,5-bis[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy]oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Systemtic Name: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5R,6R)-4-(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)-3,5-bis[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy]oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Openeye Name: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-benzoyloxy-6-(benzoyloxymethyl)-3,5-bis[[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy]tetrahydropyran-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[(2R,3R,4S,5R,6R)-4-benzoyloxy-6-(benzoyloxymethyl)-3,5-bis[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester IUPAC Name: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-benzoyloxy-6-(benzoyloxymethyl)-3,5-bis[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Traditional Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-benzoyloxy-6-(benzoyloxymethyl)-3,5-bis[[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy]tetrahydropyran-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester Formula: C75H100O24 MolecularWeight: 1385.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)OC8C(C(C(C(O8)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C9=CC=CC=C9)OC3C(C(C(C(O3)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C2C1C)C)C(=O)OC

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C9=CC=CC=C9)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)OC

InChI

InChI=1S/C75H100O24/c1-38-29-34-75(70(84)85-16)36-35-73(14)50(55(75)39(38)2)27-28-53-72(13)32-31-54(71(11,12)52(72)30-33-74(53,73)15)96-69-64(99-68-63(94-47(10)81)60(92-45(8)79)57(41(4)88-68)90-43(6)77)61(97-66(83)49-25-21-18-22-26-49)58(51(95-69)37-86-65(82)48-23-19-17-20-24-48)98-67-62(93-46(9)80)59(91-44(7)78)56(40(3)87-67)89-42(5)76/h17-27,38-41,51-64,67-69H,28-37H2,1-16H3/t38-,39+,40+,41+,51-,52+,53-,54+,55+,56+,57+,58-,59-,60-,61+,62-,63-,64-,67+,68+,69+,72+,73-,74-,75+/m1/s1