NCI60_039695

Molecular Formula: C45H72O17


InChI: InChI=1/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19u,20-,21u,23-,24+,25-,26-,27?,28u,29u,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43-,44u,45+/m0/s1

InChIKey: InChIKey=OLAMGHNQGZIWHZ-KFZYSKGNBH
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

Names:
    NCI60_039695

Registries:
    PubChem CID 401302
    PubChem ID 11444047