(Q105329202)

English

(2S)-4-[(11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-11-hydroxyundecyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

1 reference

594.449554324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-[(11R)-11-[(2S,5S)-5-[(2R,5R)-5-[(1R,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-11-hydroxyundecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-4-[(11R)-11-[(2S,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-11-hydroxyundecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₂O₇

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCC(O)CCCCCC)C

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isomeric SMILES

CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1

0 references

found in taxon

Annona cherimolia

1 reference

stated in

Tucumanin, a beta-hydroxy-gamma-lactone bistetrahydrofuranic acetogenin from Annona cherimolia, is a potent inhibitor of mitochondrial complex I.

Annona squamosa

1 reference

stated in

Annonaceous Acetogenins from the Seeds of Annona squamosa. Adjacent Bis-tetrahydrofuranic Acetogenins.

Annona cherimola

1 reference

stated in

Tucumanin, a beta-hydroxy-gamma-lactone bistetrahydrofuranic acetogenin from Annona cherimolia, is a potent inhibitor of mitochondrial complex I.

Identifiers

InChI

InChI=1S/C35H62O7/c1-3-4-5-13-17-28(36)18-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-14-11-9-7-6-8-10-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3/t26-,28-,29+,30-,31+,32+,33+,34+/m0/s1

0 references

InChIKey

XJTBKNFACRAPEK-VYGFZEIHSA-N

0 references

CAS Registry Number

159934-23-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XJTBKNFACRAPEK-VYGFZEIHSA-N

DSSTox substance ID

DTXSID901319104

1 reference

matched by identifier from

InChIKey

XJTBKNFACRAPEK-VYGFZEIHSA-N

(Q105329202)

(2S)-4-[(11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-11-hydroxyundecyl]-2-methyl-2H-furan-5-one

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Identifiers

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