(Q104169470)

English

(17-{2-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3,5-dihydroxyphenyl}heptadecan-6-yl)oxysulfonic acid

group of stereoisomers with the chemical formula C₃₃H₅₀O₉S

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Statements

group of stereoisomers

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biogenic alkylphenol

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biogenic alkylphenol

622.3175541799999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₀O₉S

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canonical SMILES

O=C(C=1C=C(C(O)=C(C1O)CC=2C(O)=CC(O)=CC2CCCCCCCCCCCC(OS(=O)(=O)O)CCCCC)C)C

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Identifiers

InChI=1S/C33H50O9S/c1-4-5-13-17-27(42-43(39,40)41)18-15-12-10-8-6-7-9-11-14-16-25-20-26(35)21-31(36)29(25)22-30-32(37)23(2)19-28(24(3)34)33(30)38/h19-21,27,35-38H,4-18,22H2,1-3H3,(H,39,40,41)

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JFJNMPULPPURRE-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JFJNMPULPPURRE-UHFFFAOYSA-N

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