(Q105028152)

English

(2S)-4-[(2R)-2-hydroxy-12-[(2S,5R)-5-[(1R)-1,8,9-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₅H₆₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

596.465204388 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₄O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC2OC(CC2)C(O)CCCCCCC(O)C(O)CCCCC)C

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isomeric SMILES

CCCCCC(O)C(O)CCCCCC[C@@H](O)[C@H]1CC[C@H](CCCCCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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found in taxon

Annona muricata

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stated in

Novel cytotoxic annonaceous acetogenins from Annona muricata

stated in

New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-13-20-31(37)32(38)21-16-11-12-17-22-33(39)34-24-23-30(42-34)19-15-10-8-6-5-7-9-14-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30-,31?,32?,33+,34+/m0/s1

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InChIKey

HHCQNIINSIODRY-PSSGGVRLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HHCQNIINSIODRY-PSSGGVRLSA-N

1 reference

(Q105028152)

(2S)-4-[(2R)-2-hydroxy-12-[(2S,5R)-5-[(1R)-1,8,9-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

Statements

Identifiers

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