(Q105264135)

English

methyl (2S)-2-[(1S,2R,5S,6S,10S,12R,13S,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 2-[6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

516.199547224 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S)-2-[(1S,2R,5S,6S,10S,12S,13R,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from InChI

Methyl (2S)-2-[(1S,2R,5S,6S,10S,12S,13S,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from InChI

methyl (2R)-2-[(1S,2R,5S,6S,10S,12S,13S,15S,16S,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from InChI

methyl (2R)-2-[(1S,2R,5S,6S,10S,12S,13S,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₁₀

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C)CCC4C5(OC53C1)C6C(=O)C(O)C7(C)CC6(O)C4(C)C7C(O)C(=O)OC

0 references

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@]45O[C@@]35[C@H]3C(=O)[C@@H](O)[C@]1(C)C[C@]32O

0 references

found in taxon

Khaya ivorensis

1 reference

stated in

Limonoids from Khaya ivorensis

Khaya senegalensis

1 reference

stated in

Antifeedant rings B and D opened limonoids from Khaya senegalensis

Identifiers

InChI

InChI=1S/C27H32O10/c1-22-11-25(33)18(15(29)19(22)31)27-13(24(25,3)17(22)16(30)21(32)34-4)5-7-23(2)20(12-6-8-35-10-12)36-14(28)9-26(23,27)37-27/h6,8,10,13,16-20,30-31,33H,5,7,9,11H2,1-4H3/t13-,16+,17+,18+,19-,20+,22-,23+,24-,25+,26+,27-/m1/s1

0 references

InChIKey

SZIDPCXTWHHMAY-JHBCGCOCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SZIDPCXTWHHMAY-JHBCGCOCSA-N

(Q105264135)

methyl (2S)-2-[(1S,2R,5S,6S,10S,12R,13S,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

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