(23E,27Z,31E)-1-(3,3-dimethyloxiran-2-yl)-33-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,7,11,15,19,23,27,31-octamethyl-tritriaconta-23,27,31-triene-3,7,11,15,19-pentol

Systemtic Name: (23E,27Z,31E)-1-(3,3-dimethyloxiran-2-yl)-33-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,7,11,15,19,23,27,31-octamethyl-tritriaconta-23,27,31-triene-3,7,11,15,19-pentol Openeye Name: (23E,27Z,31E)-1-(3,3-dimethyloxiran-2-yl)-3,7,11,15,19,23,27,31-octamethyl-33-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tritriaconta-23,27,31-triene-3,7,11,15,19-pentol CAS Name: (23E,27Z,31E)-1-(3,3-dimethyl-2-oxiranyl)-3,7,11,15,19,23,27,31-octamethyl-33-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]tritriaconta-23,27,31-triene-3,7,11,15,19-pentol IUPAC Name: (23E,27Z,31E)-1-(3,3-dimethyloxiran-2-yl)-3,7,11,15,19,23,27,31-octamethyl-33-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytritriaconta-23,27,31-triene-3,7,11,15,19-pentol Traditional Name: (23E,27Z,31E)-1-(3,3-dimethyloxiran-2-yl)-3,7,11,15,19,23,27,31-octamethyl-33-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tritriaconta-23,27,31-triene-3,7,11,15,19-pentol Formula: C51H94O12 MolecularWeight: 899.28486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCOC1C(C(C(C(O1)CO)O)O)O)C)C)CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC2C(O2)(C)C)O)O)O)O)O

Isomeric SMILES

C/C(=C\CC/C(=C\CC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC2C(O2)(C)C)O)O)O)O)O

InChI

InChI=1S/C51H94O12/c1-37(19-12-21-39(3)24-35-61-45-44(55)43(54)42(53)40(36-52)62-45)18-11-20-38(2)22-13-25-47(6,56)26-14-27-48(7,57)28-15-29-49(8,58)30-16-31-50(9,59)32-17-33-51(10,60)34-23-41-46(4,5)63-41/h19-20,24,40-45,52-60H,11-18,21-23,25-36H2,1-10H3/b37-19-,38-20+,39-24+/t40-,41?,42-,43+,44-,45-,47?,48?,49?,50?,51?/m1/s1