(Q105217418)

English

(2R)-2-methyl-4-[(2S,8R,10R,13R)-2,8,10,13-tetrahydroxy-13-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

(2S)-2-methyl-4-[(2R,13R)-2,8,10,13-tetrahydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

(2S)-2-methyl-4-[(2R,13R)-2,8,10,13-tetrahydroxy-13-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

612.460119008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-methyl-4-[(2R,8R,10S,13S)-2,8,10,13-tetrahydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2S,8R,10S,13R)-2,8,10,13-tetrahydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-2-methyl-4-[(2S,8R,10S,13S)-2,8,10,13-tetrahydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₅H₆₄O₈

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC(O)CC(O)CCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H]([C@H](O)CC[C@@H](O)C[C@H](O)CCCCC[C@H](O)CC2=C[C@@H](C)OC2=O)O1

0 references

found in taxon

Annona muricata

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)20-19-30(38)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29-,30-,31+,32-,33-,34+/m1/s1

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InChIKey

QAIKIRDKCUWJQV-DUHQHSQSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QAIKIRDKCUWJQV-DUHQHSQSSA-N

(Q105217418)

(2R)-2-methyl-4-[(2S,8R,10R,13R)-2,8,10,13-tetrahydroxy-13-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

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