(Q104400417)

English

methyl (2S)-2-[(1S,2S,3S,7S,8S,12R,14R,15S,16R,17S,18S)-8-(furan-3-yl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-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 C₂₇H₃₄O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

518.215197288 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₀

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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)C3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]45O[C@@H]4[C@@H]([C@@]2(O)C[C@@]1(C)[C@@H]4O)[C@@]35O

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found in taxon

Khaya senegalensis

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stated in

Rearranged limonoids from Khaya senegalensis

Identifiers

InChI

InChI=1S/C27H34O10/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/h6,8,10,13,15-20,29-30,32-33H,5,7,9,11H2,1-4H3/t13?,15-,16+,17-,18-,19+,20-,22+,23-,24+,25-,26+,27-/m0/s1

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InChIKey

ZDYKUDUSNJTTKV-FKVNRSASSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZDYKUDUSNJTTKV-FKVNRSASSA-N

1 reference

(Q104400417)

methyl (2S)-2-[(1S,2S,3S,7S,8S,12R,14R,15S,16R,17S,18S)-8-(furan-3-yl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

Statements

Identifiers

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