(Q105139024)

English

(2R)-4-[12-[(2R,3R)-3-[2-[(2R,3S)-3-[2-[(2R,3R)-3-decyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

(2S)-4-[12-[3-[2-[3-[2-(3-decyloxiran-2-yl)ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

588.475375148 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-4-[12-[(2S,3R)-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-decyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₄O₅

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC2OC2CCC3OC3CCC4OC4CCCCCCCCCC)C

0 references

isomeric SMILES

CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O

0 references

found in taxon

Annona rensoniana

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/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1

0 references

InChIKey

KCYRZEFVHDREPK-RIFYHBPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KCYRZEFVHDREPK-RIFYHBPYSA-N

(Q105139024)

(2R)-4-[12-[(2R,3R)-3-[2-[(2R,3S)-3-[2-[(2R,3R)-3-decyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one

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