(Q110183620)

English

(2S)-4-[(2R)-2-Hydroxy-12-[(2S,5R)-5-[(1R)-1,10,11-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₅H₆₄O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

596.465204388 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₄O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC2OC(CC2)C(O)CCCCCCCCC(O)C(O)CCC)C

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isomeric SMILES

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

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Identifiers

InChI

InChI=1S/C35H64O7/c1-3-18-31(37)32(38)21-16-12-8-9-13-17-22-33(39)34-24-23-30(42-34)20-15-11-7-5-4-6-10-14-19-29(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

VMVVAKUSEGPLKU-PSSGGVRLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMVVAKUSEGPLKU-PSSGGVRLSA-N

1 reference

(Q110183620)

(2S)-4-[(2R)-2-Hydroxy-12-[(2S,5R)-5-[(1R)-1,10,11-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

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