(Q104938935)

English

methyl (1S,2R,3S,7S,8S,9S,10S,11R)-1-(chloromethyl)-2-hydroxy-8-[(E)-2-(hydroxymethyl)but-2-enoyl]oxy-9-[(2S)-2-methylbutoxy]-6-methylidene-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradecane-10-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 1-(chloromethyl)-2-hydroxy-8-[2-(hydroxymethyl)but-2-enoyloxy]-9-(2-methylbutoxy)-6-methylidene-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradecane-10-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

544.207525064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₇ClO₁₀

0 references

canonical SMILES

O=C(OC1C(OCC(C)CC)C(C(=O)OC)C2OC(CCl)(CC2)C(O)C3OC(=O)C(=C)C31)C(=CC)CO

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)CO)[C@@H](OC[C@@H](C)CC)[C@@H](C(=O)OC)[C@H]1CC[C@](CCl)(O1)[C@@H]2O

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found in taxon

Tetragonotheca ludoviciana

1 reference

stated in

Melampolides from Tetragonotheca species

Identifiers

InChI

InChI=1S/C26H37ClO10/c1-6-13(3)11-34-19-18(25(32)33-5)16-8-9-26(12-27,37-16)22(29)21-17(14(4)23(30)36-21)20(19)35-24(31)15(7-2)10-28/h7,13,16-22,28-29H,4,6,8-12H2,1-3,5H3/b15-7+/t13-,16+,17+,18-,19-,20-,21-,22+,26+/m0/s1

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InChIKey

BNOFPHLWVANESD-QIPPRXAASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104938935)

methyl (1S,2R,3S,7S,8S,9S,10S,11R)-1-(chloromethyl)-2-hydroxy-8-[(E)-2-(hydroxymethyl)but-2-enoyl]oxy-9-[(2S)-2-methylbutoxy]-6-methylidene-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradecane-10-carboxylate

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