(Q105341263)

English

(2S)-2-methyl-4-[(2R,6S,11R,13S)-2,6,11,13-tetrahydroxy-13-[(2R,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-Deoxy-8,13-dihydroxyannoreticuin

1 reference

based on heuristic

inferred from SMILES

5-methyl-3-[(13R)-2,6,11,13-tetrahydroxy-13-[(5R)-5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-5H-furan-2-one

1 reference

1 reference

612.460119008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2-methyl-4-[(2S,6S,11R,13R)-2,6,11,13-tetrahydroxy-13-[(2S,5R)-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

chemical formula

C₃₅H₆₄O₈

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCC(O)CCCCC(O)CC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Annona montana

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-20-31(39)33-21-22-34(43-33)32(40)25-30(38)17-14-13-16-28(36)18-15-19-29(37)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+/m0/s1

0 references

InChIKey

XSUSTMTXAXHLDT-OTKBEKRKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XSUSTMTXAXHLDT-OTKBEKRKSA-N

(Q105341263)

(2S)-2-methyl-4-[(2R,6S,11R,13S)-2,6,11,13-tetrahydroxy-13-[(2R,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

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