(Q105210107)

English

4-[(12R)-2,12-dihydroxy-12-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₆H₆₄O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

608.465204388 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₄O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@H](O)CCCCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1

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found in taxon

Annona reticulata

1 reference

stated in

Studies on the acetogenins of Formosan annonaceous plants. II. Cytotoxic acetogenins from Annona reticulata

Annona squamosa

1 reference

stated in

Cytotoxic bistetrahydrofuran annonaceous acetogenins from the seeds of Annona squamosa

Identifiers

InChI

InChI=1S/C36H64O7/c1-3-4-5-6-7-10-13-16-19-30(38)32-21-23-34(42-32)35-24-22-33(43-35)31(39)20-17-14-11-8-9-12-15-18-29(37)26-28-25-27(2)41-36(28)40/h25,27,29-35,37-39H,3-24,26H2,1-2H3/t27?,29?,30-,31-,32+,33+,34+,35+/m1/s1

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InChIKey

PJQMINRIJUCTIZ-FKONRUPGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PJQMINRIJUCTIZ-FKONRUPGSA-N

1 reference

(Q105210107)

4-[(12R)-2,12-dihydroxy-12-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

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Identifiers

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