(Q105150789)

English

[(1R,2S,3S,4S,5R,6S,7S,8R,10R,12S,15R,16R)-3,4-diacetyloxy-15-[(R)-acetyloxy(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-9,11,17-trioxahexacyclo[8.6.1.15,8.01,12.03,8.07,12]octadecan-2-yl] 2-methylpropanoate

chemical compound

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Statements

type of chemical entity

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chemical compound

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788.325535584 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₂O₁₆

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canonical SMILES

O=C(OC(C1=COC=C1)C2(C)CCC34OC5(OC4(C(OC(=O)C(C)C)C6(OC(=O)C)C(OC(=O)C)C7(C)CC6(O5)C3(C)C7CC(=O)OC)C2CC(=O)OC)C)C

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isomeric SMILES

COC(=O)C[C@@H]1[C@@]2(C)[C@@]34CC[C@@](C)([C@@H](OC(C)=O)c5ccoc5)[C@@H](CC(=O)OC)[C@]35O[C@](C)(O4)O[C@]23C[C@@]1(C)[C@H](OC(C)=O)[C@]3(OC(C)=O)[C@H]5OC(=O)C(C)C

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Pseudocedrela kotschyi

1 reference

Limonoid orthoacetates and antiprotozoal compounds from the roots of Pseudocedrela kotschyi

Identifiers

InChI=1S/C40H52O16/c1-20(2)30(46)52-32-39-26(17-28(45)48-11)33(6,29(50-21(3)41)24-12-15-49-18-24)13-14-37(39)35(8)25(16-27(44)47-10)34(7)19-38(35,55-36(9,54-37)56-39)40(32,53-23(5)43)31(34)51-22(4)42/h12,15,18,20,25-26,29,31-32H,13-14,16-17,19H2,1-11H3/t25-,26+,29-,31-,32-,33+,34+,35-,36+,37-,38+,39+,40-/m0/s1

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LEUHUAIWOZIKKL-KAKKHPOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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