(Q105279818)

English

(E,2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexacos-17-enamide

group of stereoisomers with the chemical formula C₅₀H₉₅NO₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

869.69559824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₀H₉₅NO₁₀

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canonical SMILES

CCCCCCCCC=CCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCC=CCCCCCCCCC

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isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1OC(CO)C(O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CCC/C=C/CCCCCCCCC

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found in taxon

Euphorbia peplis

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stated in

New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation

Euphorbia peplus

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stated in

New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation

Identifiers

InChI

InChI=1S/C50H95NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(54)49(59)51-41(40-60-50-48(58)47(57)46(56)44(39-52)61-50)45(55)42(53)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,29,31,41-48,50,52-58H,3-16,19-28,30,32-40H2,1-2H3,(H,51,59)/b18-17+,31-29+/t41-,42+,43+,44?,45-,46?,47+,48-,50+/m0/s1

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InChIKey

UVFYANYUVOLGBR-RLQCYDQBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UVFYANYUVOLGBR-RLQCYDQBSA-N

(Q105279818)

(E,2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexacos-17-enamide

Statements

Identifiers

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