(4aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-tris(oxidanyl)-6-[[3,4,5-tris(oxidanyl)-6-[[3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Systemtic Name: (4aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-tris(oxidanyl)-6-[[3,4,5-tris(oxidanyl)-6-[[3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (4aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (4aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-2-oxanyl)oxymethyl]-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (4aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (4aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C47H76O17 MolecularWeight: 913.09614

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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)COC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C

Isomeric SMILES

C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4C3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C47H76O17/c1-42(2)14-16-47(41(57)58)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)64-40-37(56)34(53)32(51)26(63-40)21-61-39-36(55)33(52)31(50)25(62-39)20-60-38-35(54)30(49)24(48)19-59-38/h8,23-40,48-56H,9-21H2,1-7H3,(H,57,58)/t23?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,44-,45?,46+,47-/m0/s1