(Q105331595)

English

(3R,5R)-5-[(9R)-9-hydroxy-9-[(2S,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

594.449554324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,5R)-5-[(9R)-9-hydroxy-9-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from InChI

(3S,5R)-5-[(9R)-9-hydroxy-9-[(2S,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₂O₇

0 references

canonical SMILES

O=C(C)CC1C(=O)OC(CCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C1

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isomeric SMILES

CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@@H]([C@H](O)CCCCCCCC[C@@H]3C[C@H](CC(C)=O)C(=O)O3)O2)O1

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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/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3/t27-,28+,29-,30+,31+,32-,33+,34+/m0/s1

0 references

InChIKey

XNEFYQGSRCIPKN-ZVGPQOHPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105331595)

(3R,5R)-5-[(9R)-9-hydroxy-9-[(2S,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one

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