(4R,6S,8S,12R,14R,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyl-[2,2'-bioxolan]-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid

CAS: 56092-81-0

Formula: C41H72O9

SMILES: C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)C=C(O)[C@H](C)C[C@H](C)CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O

IUPAC: (4R,6S,8S,12R,14R,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyl-[2,2'-bioxolan]-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid

InChI: InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/t25-,26-,27+,28-,29-,30+,3

Composition: C (69.46%), H (10.24%), O (20.31%)

Molar Mass: 709.018

Atom Count: 122

Heavy Atom Count: 50