(Q104401050)

English

(E)-2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadec-3-enamide

group of stereoisomers with the chemical formula C₄₃H₇₉NO₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

753.5754831079998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₃H₇₉NO₉

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canonical SMILES

CCCCCCCCCCCCCCC=CC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(O)C(=O)NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)/C=C/CC/C=C(\C)CCCCCCCCC

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Identifiers

InChI

InChI=1S/C43H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-11-9-7-5-2/h26-27,29-31,35-41,43,45-50H,4-25,28,32-33H2,1-3H3,(H,44,51)/b30-27+,31-26+,34-29+/t35?,36?,37?,38-,39-,40+,41-,43-/m1/s1

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InChIKey

QSPMXWIFLDIBGD-AQSFTTACSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QSPMXWIFLDIBGD-AQSFTTACSA-N

1 reference

(Q104401050)

(E)-2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadec-3-enamide

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