methyl (2S,3S,4S,5R,6R)-4-[[(3aS,6S,7R,7aS)-7-(2,2-dimethylpropanoyloxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-[[(3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis(methoxymethoxy)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6R)-4-[[(3aS,6S,7R,7aS)-7-(2,2-dimethylpropanoyloxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-[[(3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis(methoxymethoxy)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6R)-4-[[(3aS,6S,7R,7aS)-7-(2,2-dimethylpropanoyloxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-[[(3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis(methoxymethoxy)tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-4-[[(3aS,6S,7R,7aS)-7-(2,2-dimethyl-1-oxopropoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-[[(3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis(methoxymethoxy)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-4-[[(3aS,6S,7R,7aS)-7-(2,2-dimethylpropanoyloxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-[[(3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis(methoxymethoxy)oxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-4-[[(3aS,6S,7R,7aS)-2,2-dimethyl-7-pivaloyloxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-[[(3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carbomethoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis(methoxymethoxy)tetrahydropyran-2-carboxylic acid methyl ester Formula: C55H88O16 MolecularWeight: 1005.27762

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)OCOC)OC7C(C8C(CO7)OC(O8)(C)C)OC(=O)C(C)(C)C)OCOC)C)C)C2C1)C)C(=O)OC)C

Isomeric SMILES

C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OCOC)O[C@H]7[C@@H]([C@@H]8[C@H](CO7)OC(O8)(C)C)OC(=O)C(C)(C)C)OCOC

InChI

InChI=1S/C55H88O16/c1-48(2,3)46(57)69-42-37-33(70-51(8,9)71-37)28-63-44(42)67-39-38(64-29-59-13)40(43(56)61-15)68-45(41(39)65-30-60-14)66-36-20-21-52(10)34(50(36,6)7)19-22-54(12)35(52)18-17-31-32-27-49(4,5)23-25-55(32,47(58)62-16)26-24-53(31,54)11/h17,32-42,44-45H,18-30H2,1-16H3/t32-,33-,34?,35+,36-,37-,38-,39-,40-,41+,42+,44-,45+,52-,53+,54+,55-/m0/s1