Helminthosporoside A

Molecular Formula: C₃₉H₆₄O₂₂

InChI: InChI=1/C39H64O22/c1-14-6-17(55-36-30(53)26(49)34(61-36)22(12-43)57-38-29(52)24(47)32(59-38)20(45)10-41)8-39(3)5-4-16(7-18(14)39)15(2)13-54-35-27(50)25(48)33(60-35)21(11-42)56-37-28(51)23(46)31(58-37)19(44)9-40/h16-17,19-38,40-53H,2,4-13H2,1,3H3/t16u,17-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-/m1/s1

InChIKey: InChIKey=USAJESQTSDBMKW-MSVHZGNIBY
SMILES: CC1=C2CC(CCC2(CC(C1)OC3C(C(C(O3)C(CO)OC4C(C(C(O4)C(CO)O)O)O)O)O)C)C(=C)COC5C(C(C(O5)C(CO)OC6C(C(C(O6)C(CO)O)O)O)O)O

Names:
    C09679
    Helminthosporoside A
    (2R,3R,4R,5R)-2-[[(2S,8aR)-6-[3-[(2R,3R,4R,5R)-5-[(1R)-1-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-yl]oxy-2-hydroxy-ethyl]-3,4-dihydroxy-oxolan-2-yl]oxyprop-1-en-2-yl]-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy]-5-[(1R)-1-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-yl]oxy-2-hydroxy-ethyl]oxolane-3,4-diol
    86413-81-2

Registries:
    PubChem CID 5462439
    PubChem ID 11869