(Q105386727)

English

methyl (2R)-2-[(1S,2R,5S,6S,10R,11S,12S,13R,14R,15R,17S,18S)-6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadecan-18-yl]-2-hydroxyacetate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl (2R)-2-[(1S,5S,6S,10R,11S,12R,13R,14R,15S,17S,18S)-6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadecan-18-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

Methyl 2-[6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadecan-18-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

536.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R)-2-[(1S,2S,5S,6S,10R,11S,12S,13R,14R,15R,17S,18S)-6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadecan-18-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₁₁

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C)CCC4C(O)(C5C(O)C(O)C6(C)CC5(O)C4(C)C6C(O)C(=O)OC)C3(O)C1

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isomeric SMILES

COC(=O)[C@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@]4(O)[C@@]3(O)[C@H]3[C@@H](O)[C@H](O)[C@]1(C)C[C@]32O

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found in taxon

Khaya senegalensis

1 reference

stated in

Rearranged limonoids from Khaya senegalensis

Identifiers

InChI

InChI=1S/C27H36O11/c1-22-11-25(33)18(15(29)19(22)31)27(35)13(24(25,3)17(22)16(30)21(32)36-4)5-7-23(2)20(12-6-8-37-10-12)38-14(28)9-26(23,27)34/h6,8,10,13,15-20,29-31,33-35H,5,7,9,11H2,1-4H3/t13-,15-,16-,17+,18+,19+,20+,22-,23+,24-,25+,26-,27+/m1/s1

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InChIKey

ZZECVHGEQSZPJM-PCSSWRKWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZZECVHGEQSZPJM-PCSSWRKWSA-N

(Q105386727)

methyl (2R)-2-[(1S,2R,5S,6S,10R,11S,12S,13R,14R,15R,17S,18S)-6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadecan-18-yl]-2-hydroxyacetate

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Identifiers

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