(Q105160169)

English

(2S)-2-methyl-4-[12-[(2S,5R)-5-[(1R,6R,7S)-1,6,7-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-methyl-4-[12-[5-(1,6,7-trihydroxytetradecyl)oxolan-2-yl]dodecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

580.470289768 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-methyl-4-[12-[(2S,5R)-5-[(1R,6S,7S)-1,6,7-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₆

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC2OC(CC2)C(O)CCCCC(O)C(O)CCCCCCC)C

0 references

isomeric SMILES

CCCCCCC[C@H](O)[C@H](O)CCCC[C@@H](O)[C@H]1CC[C@H](CCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1

0 references

found in taxon

Annona muricata

1 reference

stated in

New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata

Identifiers

InChI

InChI=1S/C35H64O6/c1-3-4-5-12-17-22-31(36)32(37)23-18-19-24-33(38)34-26-25-30(41-34)21-16-14-11-9-7-6-8-10-13-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31-,32+,33+,34+/m0/s1

0 references

InChIKey

LZWAOCORLSBLAU-NCEXFVFKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LZWAOCORLSBLAU-NCEXFVFKSA-N

(Q105160169)

(2S)-2-methyl-4-[12-[(2S,5R)-5-[(1R,6R,7S)-1,6,7-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2H-furan-5-one

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