(Q105181664)

English

(1S,3R,8R,10R)-6-benzoyl-10-[(E)-3-hydroxy-3-methylbut-1-enyl]-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-8-(3-methylbut-2-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-Benzoyl-10-(3-hydroxy-3-methylbut-1-enyl)-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-8-(3-methylbut-2-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-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)C=2C(=O)C3(C(=O)C4(C2OC(C4)C(O)(C)C)CC(C=CC(O)(C)C)C3(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@@]12C(=O)C(C(=O)c3ccccc3)=C3O[C@@H](C(C)(C)O)C[C@]3(C[C@H](/C=C/C(C)(C)O)C1(C)C)C2=O

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found in taxon

Hypericum scabrum

1 reference

stated in

Prenylated benzophenones and xanthones from Hypericum scabrum.

Identifiers

InChI

InChI=1S/C33H42O6/c1-20(2)14-17-33-26(35)24(25(34)21-12-10-9-11-13-21)27-32(28(33)36,19-23(39-27)31(7,8)38)18-22(30(33,5)6)15-16-29(3,4)37/h9-16,22-23,37-38H,17-19H2,1-8H3/b16-15+/t22-,23+,32-,33-/m0/s1

0 references

InChIKey

NMACMGKRMBQMHU-XTEWZBTRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NMACMGKRMBQMHU-XTEWZBTRSA-N

(Q105181664)

(1S,3R,8R,10R)-6-benzoyl-10-[(E)-3-hydroxy-3-methylbut-1-enyl]-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-8-(3-methylbut-2-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

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