(11R)-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-3,7,9,13,17-pentamethyl-10,12,14-tris(oxidanyl)-18-oxidanylidene-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid

Systemtic Name: (11R)-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-3,7,9,13,17-pentamethyl-10,12,14-tris(oxidanyl)-18-oxidanylidene-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid Openeye Name: (11R)-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-10,12,14-trihydroxy-3,7,9,13,17-pentamethyl-18-oxo-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid CAS Name: (11R)-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-10,12,14-trihydroxy-3,7,9,13,17-pentamethyl-18-oxo-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid IUPAC Name: (11R)-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-10,12,14-trihydroxy-3,7,9,13,17-pentamethyl-18-oxo-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid Traditional Name: (11R)-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-10,12,14-trihydroxy-18-keto-3,7,9,13,17-pentamethyl-1-oxacyclooctadeca-8,16-dien-2-yl]lauric acid Formula: C34H60O7 MolecularWeight: 580.836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(OC(=O)C(=CCC(C(C(CC(C(=C1)C)O)O)C)O)C)C(C)CCCCCCCCCC(=O)O)C

Isomeric SMILES

C[C@H]\1CCC[C@@H]([C@H](OC(=O)/C(=C/C[C@H]([C@H]([C@@H](C[C@@H](/C(=C1)/C)O)O)C)O)/C)[C@H](C)CCCCCCCCCC(=O)O)C

InChI

InChI=1S/C34H60O7/c1-23-15-14-17-25(3)33(24(2)16-12-10-8-7-9-11-13-18-32(38)39)41-34(40)26(4)19-20-29(35)28(6)31(37)22-30(36)27(5)21-23/h19,21,23-25,28-31,33,35-37H,7-18,20,22H2,1-6H3,(H,38,39)/b26-19+,27-21+/t23-,24+,25-,28+,29+,30-,31+,33+/m0/s1