(Q104921118)

English

(1R,6S,9R,10S,13S)-6-(2-hydroperoxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(2-Hydroperoxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

1 reference

based on heuristic

inferred from SMILES

mass

568.376389384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₆

0 references

canonical SMILES

O=C1C(=C2OC(CCC3(C)C(CC=C(C)C)CC1(C(=O)C23C(=O)C(C)C)CC=C(C)C)C(OO)(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCC1=C2O[C@H](C(C)(C)OO)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C

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found in taxon

Hypericum perforatum

1 reference

stated in

Hyperforin Analogues from St. John's Wort (Hypericum perforatum)

Identifiers

InChI

InChI=1S/C35H52O6/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)41-39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1

0 references

InChIKey

AYHYQFKEDXRTML-UXLXDXPVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AYHYQFKEDXRTML-UXLXDXPVSA-N

(Q104921118)

(1R,6S,9R,10S,13S)-6-(2-hydroperoxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

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Identifiers

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