CAS: 87745-28-6 - (1S,3S,5E,11S,12S,13E,17R,21R,23R,25S)-1,11,21,25-tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1~3,7~.1~11,15~]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate

Formula:C₄₅H₆₆O₁₆

InChI:InChI=1S/C45H66O16/c1-9-10-11-12-13-14-37(49)59-41-29(21-39(51)56-8)20-32-24-35(27(2)46)58-40(52)23-30(47)22-33-25-36(48)43(5,6)44(53,60-33)26-34-18-28(19-38(50)55-7)17-31(57-34)15-16-42(3,4)45(41,54)61-32/h11-16,19,21,27,30-36,41,46-48,53-54H,9-10,17-18,20,22-26H2,1-8H3/b12-11+,14-13+,16-15+,28-19+,29-21+/t27-,30-,31+,32+,33-,34+,35-,36+,41+,44+,45-/m1/s1

InChI key:InChIKey=LIPGUSBNMQRYNL-IZBIBDMISA-N

SMILES:O=C(OC)C=C1CC2OC(C1)CC3(O)OC(CC(O)CC(=O)OC(CC4OC(O)(C(OC(=O)C=CC=CCCC)C(=CC(=O)OC)C4)C(C=C2)(C)C)C(O)C)CC(O)C3(C)C