Sepositoside A
Molecular Formula:
C45H70O18
InChI: InChI=1/C45H70O18/c1-18(2)12-20(47)13-19(3)23-6-7-24-22-15-27-26-14-21(8-10-45(26,5)25(22)9-11-44(23,24)4)58-42-39(35(53)34(52)37(61-42)40(55)56)63-43-38(33(51)30(48)28(16-46)59-43)62-41-36(54)32(50)31(49)29(60-41)17-57-27/h15,18-19,21,23-39,41-43,46,48-54H,6-14,16-17H2,1-5H3,(H,55,56)/t19-,21+,23-,24u,25u,26u,27-,28u,29?,30?,31?,32?,33?,34?,35?,36?,37u,38?,39?,41?,42?,43?,44-,45-/m1/s1/f/h55H
InChIKey: InChIKey=SYTBXSURRJTIEH-QDSTVQKQDX
SMILES: CC(C)CC(=O)CC(C)C1CCC2C1(CCC3C2=CC4C5C3(CCC(C5)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO4)O)O)O)C)C
Names:
NSC382396
Sepositoside A
79154-52-2
Registries:
PubChem CID 5458925
PubChem ID 8141634
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