(Q105248982)

English

2-[16-[2-Acetyloxy-5-[3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6-trihydroxyhexanoyl]oxyheptadecyl]-6-hydroxybenzoic acid

group of stereoisomers with the chemical formula C₄₀H₆₄O₁₇

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Statements

group of stereoisomers

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biogenic alkylphenol

1 reference

biogenic alkylphenol

816.4143505880004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₄O₁₇

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canonical SMILES

O=C(O)C=1C(O)=CC=CC1CCCCCCCCCCCCCCCC(OC(=O)C(OC(=O)C)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2OC(=O)C)CO)C

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Identifiers

InChI=1S/C40H64O17/c1-24(18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-27-20-17-21-28(45)31(27)38(50)51)53-39(52)36(54-25(2)43)34(48)32(46)29(22-41)56-40-37(55-26(3)44)35(49)33(47)30(23-42)57-40/h17,20-21,24,29-30,32-37,40-42,45-49H,4-16,18-19,22-23H2,1-3H3,(H,50,51)

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SANKFKFXZIBMQR-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SANKFKFXZIBMQR-UHFFFAOYSA-N

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