(Q104918196)

English

(2S)-4-[(4S,11R)-4,11-dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[4,11-dihydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-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=C1CCCC(O)CCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

0 references

isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCC[C@H](O)CCCC3=C[C@H](C)OC3=O)O2)O1

0 references

found in taxon

Annona bullata

2 references

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

stated in

Bullacin: A New Cytotoxic Annonaceous Acetogenin from Annona bullata

Identifiers

InChI

InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-13-19-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)20-14-11-10-12-17-28(36)18-15-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3/t26-,28-,29+,30+,31+,32+,33+,34+/m0/s1

0 references

InChIKey

ASYREAFJWYXEIU-VRPFGOKHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASYREAFJWYXEIU-VRPFGOKHSA-N

(Q104918196)

(2S)-4-[(4S,11R)-4,11-dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one

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Identifiers

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