(Q105156887)

English

(1S,5S,7R)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

chemical compound

In more languages

Statements

type of chemical entity

0 references

3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

1 reference

based on heuristic

inferred from SMILES

502.308309824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-epiclusianone

1 reference

based on heuristic

inferred from InChI

(1S,5R,7S)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

1 reference

based on heuristic

inferred from InChI

(1R,5R,7R)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₂O₄

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canonical SMILES

O=C(C=1C=CC=CC1)C=2C(=O)C3(C(=O)C(C2O)(CC=C(C)C)C(C)(C)C(CC=C(C)C)C3)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@@](CC=C(C)C)(C2=O)C1(C)C

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Hypericum sampsonii

1 reference

Polyisoprenylated benzoylphloroglucinol derivatives from Hypericum sampsonii

Identifiers

InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,36H,15,18-20H2,1-8H3/t25-,32-,33+/m1/s1

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LTDDHUQIMJCFPX-BJEYHHSBSA-N

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