(Q105010450)

English

methyl (2R)-2-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-hydroxyacetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-[6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

502.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S)-2-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-hydroxyacetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S)-2-[(1S,2R,5R,6R,10R,11S,13S,16R)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄O₉

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C)CCC4C(O)(CC5C(=O)C(C)(C)C(C(O)C(=O)OC)C4(C5=O)C)C3C1

0 references

isomeric SMILES

COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)[C@@H]2C[C@@]3(O)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@H]34)[C@@]1(C)C2=O

0 references

found in taxon

Khaya senegalensis

1 reference

stated in

Khayseneganins A-H, limonoids from Khaya senegalensis

Identifiers

InChI

InChI=1S/C27H34O9/c1-24(2)19(18(29)23(32)34-5)26(4)15-6-8-25(3)16(27(15,33)11-14(20(24)30)21(26)31)10-17(28)36-22(25)13-7-9-35-12-13/h7,9,12,14-16,18-19,22,29,33H,6,8,10-11H2,1-5H3/t14-,15+,16+,18+,19-,22-,25+,26+,27+/m0/s1

0 references

InChIKey

GKXWKJLURBIZRZ-BOOJFYEFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GKXWKJLURBIZRZ-BOOJFYEFSA-N

1 reference

(Q105010450)

methyl (2R)-2-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-hydroxyacetate

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