(Q105167683)

English

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

chemical compound

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Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

448.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₄

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canonical SMILES

O=C(C=1C=CC=CC1)C=2C(=O)C3(C(=O)C(C2O)(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@](C)(C2=O)C1(C)C

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Hypericum scabrum

2 references

Prenylated benzophenones and xanthones from Hypericum scabrum.

Prenylated benzophenones and xanthones from Hypericum scabrum.

Identifiers

InChI=1S/C29H36O4/c1-18(2)13-14-21-17-29(16-15-19(3)4)25(32)22(23(30)20-11-9-8-10-12-20)24(31)28(7,26(29)33)27(21,5)6/h8-13,15,21,31H,14,16-17H2,1-7H3/t21-,28+,29-/m0/s1

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MMEANSUBRJPUHP-WSZKRTDOSA-N

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