(Q105160717)

English

(1S,9R,11R)-7-benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-5-oxatricyclo[7.3.1.01,6]trideca-2,6-diene-8,13-dione

chemical compound

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type of chemical entity

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subclass of

7-Benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-5-oxatricyclo[7.3.1.01,6]trideca-2,6-diene-8,13-dione

1 reference

based on heuristic

inferred from SMILES

mass

568.355260016 dalton

1 reference

1 reference

(1R,9R,11S)-7-benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-5-oxatricyclo[7.3.1.01,6]trideca-2,6-diene-8,13-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₈O₄

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canonical SMILES

O=C(C=1C=CC=CC1)C=2C(=O)C3(C(=O)C4(C=CC(OC24)(C)C)C(C)(C)C(CC=C(C)C)C3)CC(C(=C)C)CC=C(C)C

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isomeric SMILES

C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@]3(C=CC(C)(C)OC3=C(C(=O)c3ccccc3)C1=O)C2=O

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found in taxon

Garcinia multiflora

1 reference

stated in

Benzophenone derivatives from the fruits of Garcinia multiflora and their anti-inflammatory activity

Identifiers

InChI

InChI=1S/C38H48O4/c1-24(2)16-18-28(26(5)6)22-37-23-29(19-17-25(3)4)36(9,10)38(34(37)41)21-20-35(7,8)42-33(38)30(32(37)40)31(39)27-14-12-11-13-15-27/h11-17,20-21,28-29H,5,18-19,22-23H2,1-4,6-10H3/t28-,29+,37-,38-/m0/s1

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InChIKey

MBFYFWIEWICZQJ-FSGRWUSESA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105160717)

(1S,9R,11R)-7-benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-5-oxatricyclo[7.3.1.01,6]trideca-2,6-diene-8,13-dione

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