(Q104979106)

English

(3R,5S)-5-[(6R,11S)-6,11-dihydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

chemical compound

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type of chemical entity

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subclass of

5-[(11S)-6,11-dihydroxy-11-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

596.465204388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2,4-trans-10R-34-Oxoannonacin A

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R)-5-[(6R,11R)-6,11-dihydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from InChI

2,4-cis-10R-34-Oxoannonacin A

1 reference

based on heuristic

inferred from InChI

(3S,5R)-5-[(6R,11R)-6,11-dihydroxy-11-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₇

0 references

canonical SMILES

O=C(C)CC1C(=O)OC(CCCCCC(O)CCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C1

0 references

isomeric SMILES

CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@@H](O)CCCC[C@H](O)CCCCC[C@H]2C[C@H](CC(C)=O)C(=O)O2)O1

0 references

found in taxon

Annona densicoma

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28-,29+,30-,31+,32-,33+,34+/m0/s1

0 references

InChIKey

DGQPZGGOYKKJLX-LCCONEIASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DGQPZGGOYKKJLX-LCCONEIASA-N

(Q104979106)

(3R,5S)-5-[(6R,11S)-6,11-dihydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

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