(Q105103086)

English

(2S)-4-[14-[(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]tetradecyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-(14-{3-[(3Z)-hexadec-3-en-1-yl]oxiran-2-yl}tetradecyl)-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

2(5H)-Furanone, 3-[14-[3-(3-hexadecenyl)oxiranyl]tetradecyl]-5-methyl-

1 reference

based on heuristic

inferred from SMILES

mass

558.501195972 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-4-[14-[(2R,3R)-3-[(Z)-hexadec-3-enyl]oxiran-2-yl]tetradecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChIKey

(2S)-4-[14-[(2S,3S)-3-[(Z)-hexadec-3-enyl]oxiran-2-yl]tetradecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₃

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canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCCCC2OC2CCC=CCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC/C=C/CC[C@@H]1O[C@H]1CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O

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found in taxon

Annona mucosa

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C37H66O3/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35-36(40-35)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)39-37(34)38/h21,24,32-33,35-36H,3-20,22-23,25-31H2,1-2H3/b24-21+/t33-,35-,36-/m0/s1

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InChIKey

CQXDIWLWKUBMCF-PYHCHHLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CQXDIWLWKUBMCF-PYHCHHLUSA-N

1 reference

(Q105103086)

(2S)-4-[14-[(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]tetradecyl]-2-methyl-2H-furan-5-one

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