(Q105179695)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

2-methyl-4-[12-[3-[2-[3-[(Z)-tetradec-3-enyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

rel-5-Methyl-3-[12-[(2R,3S)-3-[2-[(2S,3R)-3-[(3Z)-3-tetradecen-1-yl]-2-oxiranyl]ethyl]-2-oxiranyl]dodecyl]-2(5H)-furanone

1 reference

1 reference

572.480460528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₄O₄

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canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC2OC2CCC3OC3CCC=CCCCCCCCCCC)C

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isomeric SMILES

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

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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/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17+/t31-,33+,34-,35-,36-/m1/s1

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InChIKey

NHZOCAXASXRFNX-OCNDSIHXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NHZOCAXASXRFNX-OCNDSIHXSA-N

1 reference

(Q105179695)

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

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Identifiers

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