(Q105191206)

English

(4S,6R)-4-butanoyl-6-[[3-butanoyl-5-[[(1R,5S)-5-butanoyl-3,3-dimethyl-2,4,6-trioxocyclohexyl]methyl]-2,4,6-trihydroxyphenyl]methyl]-2,2-dimethylcyclohexane-1,3,5-trione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-Butanoyl-6-[[3-butanoyl-5-[(5-butanoyl-3,3-dimethyl-2,4,6-trioxocyclohexyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-2,2-dimethylcyclohexane-1,3,5-trione

1 reference

based on heuristic

inferred from SMILES

mass

668.283276848 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄O₁₂

0 references

canonical SMILES

O=C(C=1C(O)=C(C(O)=C(C1O)CC2C(=O)C(C(=O)CCC)C(=O)C(C2=O)(C)C)CC3C(=O)C(C(=O)CCC)C(=O)C(C3=O)(C)C)CCC

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isomeric SMILES

CCCC(=O)c1c(O)c(C[C@@H]2C(=O)[C@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c(O)c(C[C@@H]2C(=O)[C@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c1O

0 references

found in taxon

Dryopteris filix-mas

1 reference

stated in

CHEMOTAXONOMISCHE UNTERSUCHUNGEN BEIDRYOPTERIS–ARTEN

Identifiers

InChI

InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h18-19,24-25,40-42H,8-15H2,1-7H3/t18-,19-,24+,25+/m1/s1

0 references

InChIKey

OFLHXQMIUNEEDR-WHBJXLRSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OFLHXQMIUNEEDR-WHBJXLRSSA-N

(Q105191206)

(4S,6R)-4-butanoyl-6-[[3-butanoyl-5-[[(1R,5S)-5-butanoyl-3,3-dimethyl-2,4,6-trioxocyclohexyl]methyl]-2,4,6-trihydroxyphenyl]methyl]-2,2-dimethylcyclohexane-1,3,5-trione

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