(Q105177159)

English

(1R,9S,11R)-1-benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-diene-8,13-dione

chemical compound

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instance of

type of chemical entity

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subclass of

1-benzoyl-4,4,12,12-tetramethyl-9-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-11-(3-methylbut-2-en-1-yl)-3-oxatricyclo[7.3.1.0²,⁷]trideca-2(7),5-diene-8,13-dione

1 reference

based on heuristic

inferred from SMILES

mass

568.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,9S,11S)-1-benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-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)C23C(=O)C(C(=O)C=4C=CC(OC42)(C)C)(CC(C(=C)C)CC=C(C)C)CC(CC=C(C)C)C3(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@@](C(=O)c3ccccc3)(C1=O)C1=C(C=CC(C)(C)O1)C2=O

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found in taxon

Clusia grandiflora

2 references

stated in

Two polyisoprenylated benzophenones from the trunk latex of Clusia grandiflora (Clusiaceae)

stated in

Two polyisoprenylated benzophenones from the trunk latex of Clusia grandiflora (Clusiaceae)

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)41,31(39)27-14-12-11-13-15-27)33-30(32(37)40)20-21-35(7,8)42-33/h11-17,20-21,28-29H,5,18-19,22-23H2,1-4,6-10H3/t28-,29-,37+,38-/m1/s1

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InChIKey

NCEYXZCRXMSOBB-VLFLZPTOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105177159)

(1R,9S,11R)-1-benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-diene-8,13-dione

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