(Q105031543)

English

methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,16R,17R,18S)-8-(furan-3-yl)-1,3-dihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

group of stereoisomers with the chemical formula C₂₇H₃₂O₁₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

methyl 2-[(1S,2S,3S,4R,7S,12R,18S)-8-(furan-3-yl)-1,3-dihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

516.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₁₀

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canonical SMILES

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

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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@@]45OC4C(=O)[C@]1(C)C[C@]2(O)[C@H]4[C@@]35O

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found in taxon

Khaya senegalensis

1 reference

stated in

Rearranged limonoids from Khaya senegalensis

Identifiers

InChI

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

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InChIKey

HOUJKWFMLMSPNW-OGOVIMGLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105031543)

methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,16R,17R,18S)-8-(furan-3-yl)-1,3-dihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

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Identifiers

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