(Q105263366)

English

methyl (3aS,4S,5S,6E,10R,11R,11aS)-11-hydroxy-4-[(Z)-2-(hydroxymethyl)but-2-enoyl]oxy-5-[(2S)-2-methylbutoxy]-3-methylidene-2-oxospiro[4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-10,2'-oxirane]-6-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 11-hydroxy-4-[2-(hydroxymethyl)but-2-enoyloxy]-5-(2-methylbutoxy)-3-methylidene-2-oxospiro[4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-10,2'-oxirane]-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

508.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₁₀

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canonical SMILES

O=C(OC1C(OCC(C)CC)C(=CCCC2(OC2)C(O)C3OC(=O)C(=C)C13)C(=O)OC)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(C(=O)OC)=C\CC[C@@]1(CO1)[C@@H]2O

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found in taxon

Tetragonotheca ludoviciana

1 reference

stated in

Melampolides from Tetragonotheca species

Identifiers

InChI

InChI=1S/C26H36O10/c1-6-14(3)12-33-19-17(25(31)32-5)9-8-10-26(13-34-26)22(28)21-18(15(4)23(29)36-21)20(19)35-24(30)16(7-2)11-27/h7,9,14,18-22,27-28H,4,6,8,10-13H2,1-3,5H3/b16-7-,17-9+/t14-,18+,19-,20-,21-,22+,26+/m0/s1

0 references

InChIKey

SXWDGOYRNVJIPY-GHACRGSDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SXWDGOYRNVJIPY-GHACRGSDSA-N

(Q105263366)

methyl (3aS,4S,5S,6E,10R,11R,11aS)-11-hydroxy-4-[(Z)-2-(hydroxymethyl)but-2-enoyl]oxy-5-[(2S)-2-methylbutoxy]-3-methylidene-2-oxospiro[4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-10,2'-oxirane]-6-carboxylate

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Identifiers

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