(Q105207312)

English

(2R)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-[13-hydroxy-13-[5-(1-hydroxypentadec-4-enyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

590.491025212 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(Z,1S)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₅

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(O)C2OC(CC2)C(O)CCC=CCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC/C=C\CC[C@@H](O)[C@@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1

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found in taxon

Annona bullata

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Annona squamosa

1 reference

stated in

Mono-tetrahydrofuran annonaceous acetogenins from Annona squamosa as cytotoxic agents and calcium ion chelators

Identifiers

InChI

InChI=1S/C37H66O5/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3/b20-17-/t31-,33-,34-,35+,36-/m1/s1

0 references

InChIKey

PESMXQQHYXMTFX-DFXKODPJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PESMXQQHYXMTFX-DFXKODPJSA-N

(Q105207312)

(2R)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

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