(Q105023362)

English

(2S)-4-[(17S)-17-hydroxy-17-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[17-hydroxy-17-[5-(1-hydroxyundecyl)oxolan-2-yl]heptadecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

592.506675276 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(17R)-17-hydroxy-17-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₇H₆₈O₅

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@@H](O)CCCCCCCCCCCCCCCCC2=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

Annonaceous acetogenins: Precursors from the seeds of Annona squamosa

Identifiers

InChI

InChI=1S/C37H68O5/c1-3-4-5-6-7-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-13-11-9-8-10-12-14-16-19-22-25-32-30-31(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

GXSLYZATMZIZRT-KYBSVACCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GXSLYZATMZIZRT-KYBSVACCSA-N

(Q105023362)

(2S)-4-[(17S)-17-hydroxy-17-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2-methyl-2H-furan-5-one

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Identifiers

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