Mycolactone

Molecular Formula: C44H70O9


InChI: InChI=1/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17+,32-23+/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1

InChIKey: InChIKey=WKTLNJXZVDLRTJ-QRRXZRELBE
SMILES: CC1CC(=CCC(OC(=O)CCCC1OC(=O)C=CC(=CC(=CC=CC(=CC(C(CC(C)O)O)O)C)C)C)C(C)CC(=CC(C)C(CC(C)O)O)C)C

Names:
    C12151
    Mycolactone
    [(2R,4E,7S,8S)-2-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyl-dec-4-en-2-yl]-5,7-dimethyl-12-oxo-1-oxacyclododec-4-en-8-yl] (2E,4E,6E,8E,10E,12S,13S,15S)-12,13,15-trihydroxy-4,6,10-trimethyl-hexadeca-2,4,6,8,10-pentaenoate

Registries:
    PubChem CID 5282079
    PubChem ID 14298