Endusamycin

Structural Information

Molecular Formula

C₄₇H₇₈O₁₄

SMILES

C[C@@H]1CC[C@@H](O[C@@]12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@H]([C@@](O3)(CO)O)C)C)C)[C@@]4([C@@H](C[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)C)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C

InChI

InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,41-,42+,44-,45+,46+,47-/m1/s1

InChIKey

IXZQKHXEQYZXTP-RATZTJMHSA-N

Compound name

(E,2S,4R,8S)-8-[(2S,3R,5S,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5R,6R,9R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid

Related CIDs

• CID 121232594