(Q105237437)

English

(5S)-3-[(11S)-11-Hydroxy-11-[(2S,5R)-tetrahydro-5-[(1R)-1-hydroxyheptadecyl]-2-furanyl]undecyl]-5-methyl-2(5H)-furanone

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-[(11S)-11-hydroxy-11-[(2S,5R)-5-[(1S)-1-hydroxyheptadecyl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(11R)-11-hydroxy-11-[(2R,5S)-5-[(1S)-1-hydroxyheptadecyl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₈O₅

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCCCCCCCCC2=C[C@H](C)OC2=O)O1

0 references

found in taxon

Annona muricata

6 references

stated in

cis-monotetrahydrofuran acetogenins from the roots of annona muricata1

stated in

Novel cytotoxic annonaceous acetogenins from Annona muricata

stated in

New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata

stated in

Five novel mono-tetrahydrofuran ring acetogenins from the seeds of Annona muricata

stated in

Cohibins C and D, two important metabolites in the biogenesis of acetogenins from Annona muricata and Annona nutans

stated in

Annona muricata (Annonaceae): A Review of Its Traditional Uses, Isolated Acetogenins and Biological Activities

Identifiers

InChI

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

RJFLREBFQAUBLY-RCSGYHMFSA-N

0 references

CAS Registry Number

205439-37-8

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

RJFLREBFQAUBLY-RCSGYHMFSA-N

DSSTox substance ID

DTXSID501105349

1 reference

matched by identifier from

InChIKey

RJFLREBFQAUBLY-RCSGYHMFSA-N

(Q105237437)

(5S)-3-[(11S)-11-Hydroxy-11-[(2S,5R)-tetrahydro-5-[(1R)-1-hydroxyheptadecyl]-2-furanyl]undecyl]-5-methyl-2(5H)-furanone

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