(Q104936863)

English

(3S,4R,5S)-3-[9-[(2R,5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-4-hydroxy-5-methyloxolan-2-one

chemical compound

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0 references

1 reference

3-[9-[5-[1,4-Dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-4-hydroxy-5-methyloxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

640.491419136 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4R,5S)-3-[9-[(2S,5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-4-hydroxy-5-methyloxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4R,5R)-3-[9-[(2S,5S)-5-[(1S,4S)-1,4-dihydroxy-4-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-4-hydroxy-5-methyloxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₈O₈

0 references

canonical SMILES

O=C1OC(C)C(O)C1CCCCCCCCCC2OC(CC2)C(O)CCC(O)C3OC(CC3)C(O)CCCCCCCCCC

0 references

isomeric SMILES

CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@@H](O)[C@H]2CC[C@@H](CCCCCCCCC[C@@H]3C(=O)O[C@@H](C)[C@@H]3O)O2)O1

0 references

found in taxon

Annona cherimolia

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Annona cherimola

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C37H68O8/c1-3-4-5-6-7-11-14-17-20-30(38)34-25-26-35(45-34)32(40)23-22-31(39)33-24-21-28(44-33)18-15-12-9-8-10-13-16-19-29-36(41)27(2)43-37(29)42/h27-36,38-41H,3-26H2,1-2H3/t27-,28+,29-,30-,31+,32+,33+,34+,35+,36-/m0/s1

0 references

InChIKey

BIXWLUMDIFSPDE-YEJRUQLBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BIXWLUMDIFSPDE-YEJRUQLBSA-N

(Q104936863)

(3S,4R,5S)-3-[9-[(2R,5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-4-hydroxy-5-methyloxolan-2-one

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