(Q105276115)

English

(2R)-4-[(3S,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxynonyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-[3,13-dihydroxy-13-[5-[5-(1-hydroxynonyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

594.449554324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₂O₇

0 references

canonical SMILES

O=C1OC(C=C1CCC(O)CCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCC)C

0 references

isomeric SMILES

CCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCC[C@H](O)CCC3=C[C@@H](C)OC3=O)O2)O1

0 references

found in taxon

Annona squamosa

1 reference

stated in

Annonaceous acetogenins from the seeds of Annona squamosa

Identifiers

InChI

InChI=1S/C35H62O7/c1-3-4-5-6-11-14-17-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)18-15-12-9-7-8-10-13-16-28(36)20-19-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3/t26-,28+,29-,30-,31-,32-,33-,34-/m1/s1

0 references

InChIKey

UNRLROKKLVYNPX-HDAUDMEBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UNRLROKKLVYNPX-HDAUDMEBSA-N

(Q105276115)

(2R)-4-[(3S,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxynonyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

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