(Q105280830)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

592.506675276 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5S)-3-[(13S,14S,17R,18R)-13,18-Dihydroxy-14,17-epoxydotriacontane-1-yl]-5-methylfuran-2(5H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

C₃₇H₆₈O₅

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCCCC[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 reticulata

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/C37H68O5/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/h30-31,33-36,38-39H,3-29H2,1-2H3/t31-,33+,34-,35-,36+/m0/s1

0 references

InChIKey

UXILAQXAZFVOFT-ACHINCKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UXILAQXAZFVOFT-ACHINCKFSA-N

1 reference

(Q105280830)

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

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