2-[6-[6-[3-(5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl)-3,10,12-trimethyl-15-oxidanyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]-3,5-dimethyl-oxan-2-yl]propanoic acid

Systemtic Name: 2-[6-[6-[3-(5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl)-3,10,12-trimethyl-15-oxidanyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]-3,5-dimethyl-oxan-2-yl]propanoic acid Openeye Name: 2-[6-[5-[3-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-3,5-dimethyl-tetrahydropyran-2-yl]propanoic acid CAS Name: 2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyl-2-oxanyl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyl-2-oxanyl]propanoic acid IUPAC Name: 2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]propanoic acid Traditional Name: 2-[6-[5-[3-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-2-hydroxy-4-keto-1,3-dimethyl-heptyl]-3,5-dimethyl-tetrahydropyran-2-yl]propionic acid Formula: C42H70O11 MolecularWeight: 750.9986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(CC(C2(O1)C=CC(C3(O2)CCC(O3)(C)C4CCC(C(O4)C)(CC)O)O)C)C)C(=O)C(C)C(C(C)C5C(CC(C(O5)C(C)C(=O)O)C)C)O

Isomeric SMILES

CCC(C1C(CC(C2(O1)C=CC(C3(O2)CCC(O3)(C)C4CCC(C(O4)C)(CC)O)O)C)C)C(=O)C(C)C(C(C)C5C(CC(C(O5)C(C)C(=O)O)C)C)O

InChI

InChI=1S/C42H70O11/c1-12-30(34(45)26(7)33(44)27(8)35-22(3)20-23(4)36(50-35)28(9)38(46)47)37-24(5)21-25(6)41(51-37)17-14-31(43)42(53-41)19-18-39(11,52-42)32-15-16-40(48,13-2)29(10)49-32/h14,17,22-33,35-37,43-44,48H,12-13,15-16,18-21H2,1-11H3,(H,46,47)