(Q105223468)

English

methyl (3aS,4S,5S,6E,11S,11aS)-11-hydroxy-4-[(Z)-2-methylbut-2-enoyl]oxy-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 11-hydroxy-4-(2-methylbut-2-enoyloxy)-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

476.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₈

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canonical SMILES

O=C(OC)C1=CCCC(=C)C(O)C2OC(=O)C(=C)C2C(OC(=O)C(=CC)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(C)=C\C)[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/C26H36O8/c1-8-14(3)13-32-21-18(26(30)31-7)12-10-11-16(5)20(27)22-19(17(6)25(29)33-22)23(21)34-24(28)15(4)9-2/h9,12,14,19-23,27H,5-6,8,10-11,13H2,1-4,7H3/b15-9-,18-12+/t14-,19-,20-,21-,22-,23-/m0/s1

0 references

InChIKey

QLBOOQSQGJQNHU-OJXYIPCOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QLBOOQSQGJQNHU-OJXYIPCOSA-N

(Q105223468)

methyl (3aS,4S,5S,6E,11S,11aS)-11-hydroxy-4-[(Z)-2-methylbut-2-enoyl]oxy-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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