Q105337696

chemical compound

Wikidata entity: Q105337696

C₄₀H₄₄O₁₃ (P274)



Quantities

P2067mass732.278191468

P233 canonical SMILES String O=C1OCC2(O)C3CC3C4(C)C5CC6=C7C(C(C(=O)C(O)C7(C)C8CC68)=C(C(=O)OC)C)C95OC(=O)C(=C9CC24)COC(=O)CCC(=O)OCC(=C1)C ???
P703 found in taxon ... Q10871323 (Chloranthus fortunei) Chloranthus fortunei
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String COC(=O)/C(C)=C1\C(=O)[C@@H](O)[C@@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C=C(\C)COC(=O)CCC(=O)OC6)[C@@H]6C[C@@H]6[C@@]45C)[C@H]31)[C@H]1C[C@H]12 ???
P3364 stereoisomer of ... Q27138128 (shizukaol F) shizukaol F
P3364 stereoisomer of ... Q105337697 (???) ???
P279 subclass of ... Q105337702 (Methyl 2-(18,30-dihydroxy-13,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.125,29.01,23.04,34.019,21.022,36.026,28.033,37]heptatriaconta-4(34),13,25(37)-trien-32-ylidene)propanoate) Methyl 2-(18,30-dihydroxy-13,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.125,29.01,23.04,34.019,21.022,36.026,28.033,37]heptatriaconta-4(34),13,25(37)-trien-32-ylidene)propanoate

External Ids
P234InChIInChI=1S/C40H44O13/c1-16-8-29(43)52-15-39(48)24-11-23(24)37(3)25(39)12-22-20(14-51-28(42)7-6-27(41)50-13-16)36(47)53-40(22)26(37)10-19-18-9-21(18)38(4)31(19)32(40)30(33(44)34(38)45)17(2)35(46)49-5/h8,18,21,23-26,32,34,45,48H,6-7,9-15H2,1-5H3/b16-8+,30-17-/t18-,21-,23+,24-,25-,26+,32+,34-,37-,38-,39+,40+/m1/s1
P235InChIKeyXOCHXEVAPBOSPH-NTOWFXLMSA-N
P662PubChem CID163190755

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