(Q105160849)

English

methyl (3aS,4S,5S,6E,11S,11aS)-4-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-11-hydroxy-5-[(2S)-2-methylbutoxy]-3,10-dimethylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-6-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 4-(2,3-dimethyloxirane-2-carbonyl)oxy-11-hydroxy-5-(2-methylbutoxy)-3,10-dimethylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

492.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₉

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canonical SMILES

O=C(OC)C1=CCCC(=C)C(O)C2OC(=O)C(=C)C2C(OC(=O)C3(OC3C)C)C1OCC(C)CC

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isomeric SMILES

C=C1CC/C=C(/C(=O)OC)[C@H](OC[C@@H](C)CC)[C@@H](OC(=O)[C@@]2(C)O[C@H]2C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1O

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found in taxon

Tetragonotheca ludoviciana

1 reference

stated in

Melampolides from Tetragonotheca species

Tetragonotheca repanda

1 reference

stated in

Melampolides from Tetragonotheca species

Identifiers

InChI

InChI=1S/C26H36O9/c1-8-13(2)12-32-20-17(24(29)31-7)11-9-10-14(3)19(27)21-18(15(4)23(28)33-21)22(20)34-25(30)26(6)16(5)35-26/h11,13,16,18-22,27H,3-4,8-10,12H2,1-2,5-7H3/b17-11+/t13-,16-,18-,19-,20-,21-,22-,26-/m0/s1

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InChIKey

MBMVKJBPOHNWKE-LRNODHCKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105160849)

methyl (3aS,4S,5S,6E,11S,11aS)-4-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-11-hydroxy-5-[(2S)-2-methylbutoxy]-3,10-dimethylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-6-carboxylate

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