(Q105196117)

English

methyl (2S)-2-acetyloxy-2-[(1R,3R,4R,5R,10S,12R,14S,15S,16R,18S,19R,20S,22S)-3,22-diacetyloxy-5-(furan-3-yl)-16-hydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

Methyl 2-acetyloxy-2-[3,22-diacetyloxy-5-(furan-3-yl)-16-hydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate

1 reference

based on heuristic

inferred from SMILES

700.23672058 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₀O₁₅

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C45OC6(OC5C7C(OC(=O)C)C8(C)CC7(O)C(C)(C8C(OC(=O)C)C(=O)OC)C4(O6)CC3OC(=O)C)C)C

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isomeric SMILES

COC(=O)[C@@H](OC(C)=O)[C@@H]1[C@]2(C)C[C@@]3(O)[C@@H]([C@@H]2OC(C)=O)[C@@H]2O[C@@]4(C)O[C@@]25C2=CC(=O)O[C@H](c6ccoc6)[C@@]2(C)[C@H](OC(C)=O)C[C@@]5(O4)[C@@]13C

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Xylocarpus granatum

1 reference

Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.

Identifiers

InChI=1S/C35H40O15/c1-15(36)44-20-12-34-31(6)24(23(28(40)42-8)45-16(2)37)29(4)14-33(31,41)22(26(29)46-17(3)38)27-35(34,50-32(7,48-27)49-34)19-11-21(39)47-25(30(19,20)5)18-9-10-43-13-18/h9-11,13,20,22-27,41H,12,14H2,1-8H3/t20-,22+,23+,24-,25-,26+,27+,29+,30-,31+,32-,33-,34-,35+/m1/s1

0 references

OPGFYBVPXMGZOY-XIFGAUCQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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