5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(4-methanoyl-4,6a,6b,11,11,14b-hexamethyl-10-oxidanyl-8-oxidanylidene-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxane-2-carboxylic acid

Systemtic Name: 5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(4-methanoyl-4,6a,6b,11,11,14b-hexamethyl-10-oxidanyl-8-oxidanylidene-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxane-2-carboxylic acid Openeye Name: 6-[(4-formyl-10-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[(4-formyl-10-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanecarboxylic acid IUPAC Name: 6-[(4-formyl-10-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid Traditional Name: 6-[(4-formyl-10-hydroxy-8-keto-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-carboxylic acid Formula: C47H72O19 MolecularWeight: 941.06318

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4CCC5(C(C4(C)C=O)CCC6(C5CC=C7C6(CC(=O)C8C7CC(C(C8)O)(C)C)C)C)C)C(=O)O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4CCC5(C(C4(C)C=O)CCC6(C5CC=C7C6(CC(=O)C8C7CC(C(C8)O)(C)C)C)C)C)C(=O)O)O)O)O)O

InChI

InChI=1S/C47H72O19/c1-19-29(52)31(54)33(56)40(61-19)64-36-35(58)37(39(59)60)65-42(38(36)66-41-34(57)32(55)30(53)24(17-48)62-41)63-28-11-12-44(4)25(45(28,5)18-49)10-13-46(6)26(44)9-8-22-21-15-43(2,3)27(51)14-20(21)23(50)16-47(22,46)7/h8,18-21,24-38,40-42,48,51-58H,9-17H2,1-7H3,(H,59,60)