(Q105209595)

English

(2S)-2-methyl-4-[7-[(2S,3R)-3-[(2S,3R)-3-nonadecyloxiran-2-yl]oxiran-2-yl]heptyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

546.464810464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₂O₄

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canonical SMILES

O=C1OC(C=C1CCCCCCCC2OC2C3OC3CCCCCCCCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCCCCCCCCC[C@H]1O[C@@H]1[C@@H]1O[C@H]1CCCCCCCC1=C[C@H](C)OC1=O

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found in taxon

Annona montana

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C35H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-31-33(38-31)34-32(39-34)27-24-21-18-19-22-25-30-28-29(2)37-35(30)36/h28-29,31-34H,3-27H2,1-2H3/t29-,31+,32-,33-,34+/m0/s1

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InChIKey

PILRDEZAGFDTTB-UTJJKTFZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PILRDEZAGFDTTB-UTJJKTFZSA-N

(Q105209595)

(2S)-2-methyl-4-[7-[(2S,3R)-3-[(2S,3R)-3-nonadecyloxiran-2-yl]oxiran-2-yl]heptyl]-2H-furan-5-one

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Identifiers

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