(Q105122458)

English

(2R)-2-methyl-4-[(2S,6S,11R,17R)-2,6,11,17-tetrahydroxy-17-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

640.491419136 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2-methyl-4-[(2S,6S,11S,17R)-2,6,11,17-tetrahydroxy-17-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₃₇H₆₈O₈

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCC(O)CCCCC(O)CCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCC)C

0 references

isomeric SMILES

CCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]([C@H](O)CCCCC[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

Annona muricata

1 reference

stated in

MALDI-TOF MS profiling of annonaceous acetogenins in Annona muricata products for human consumption

Identifiers

InChI

InChI=1S/C37H68O8/c1-3-4-5-6-7-8-9-12-22-33(41)35-24-25-36(45-35)34(42)23-13-10-11-17-30(38)18-14-15-19-31(39)20-16-21-32(40)27-29-26-28(2)44-37(29)43/h26,28,30-36,38-42H,3-25,27H2,1-2H3/t28-,30-,31+,32+,33+,34-,35+,36+/m1/s1

0 references

InChIKey

IXSHKIWENQCBDU-ANHPSQLFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXSHKIWENQCBDU-ANHPSQLFSA-N

(Q105122458)

(2R)-2-methyl-4-[(2S,6S,11R,17R)-2,6,11,17-tetrahydroxy-17-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2H-furan-5-one

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Identifiers

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