(Q104996258)

English

(1S,4S,8S,10S)-8-benzoyl-10-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-1-(3-methylbut-2-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-Benzoyl-10-(3-hydroxy-3-methylbut-1-enyl)-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-1-(3-methylbut-2-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

1 reference

based on heuristic

inferred from SMILES

mass

534.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₆

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4=C(OC(C4)C(O)(C)C)C(C2=O)(CC=C(C)C)CC(C=CC(O)(C)C)C3(C)C

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isomeric SMILES

CC(C)=CC[C@]12C[C@@H](/C=C/C(C)(C)O)C(C)(C)[C@](C(=O)c3ccccc3)(C(=O)C3=C1O[C@H](C(C)(C)O)C3)C2=O

0 references

found in taxon

Hypericum scabrum

2 references

stated in

Prenylated benzophenones and xanthones from Hypericum scabrum.

stated in

Benzoylphloroglucinol derivatives from Hypericum scabrum.

Identifiers

InChI

InChI=1S/C33H42O6/c1-20(2)14-17-32-19-22(15-16-29(3,4)37)30(5,6)33(28(32)36,25(34)21-12-10-9-11-13-21)26(35)23-18-24(31(7,8)38)39-27(23)32/h9-16,22,24,37-38H,17-19H2,1-8H3/b16-15+/t22-,24+,32+,33-/m1/s1

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InChIKey

FJPDDKGLDQESMT-ABFSITTASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FJPDDKGLDQESMT-ABFSITTASA-N

1 reference

(Q104996258)

(1S,4S,8S,10S)-8-benzoyl-10-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-1-(3-methylbut-2-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

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