(Q105264552)

English

(1R,3S,9S,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-enyl)-3-(2-methylprop-1-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-(3,4-Dihydroxybenzoyl)-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-enyl)-3-(2-methylprop-1-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione

1 reference

based on heuristic

inferred from SMILES

mass

588.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₈O₆

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canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C3(C(=O)C4(C2OC(C)(C)C(C=C(C)C)C4)CC(CC=C(C)C)C3(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@H]1C[C@@]23C[C@@H](C=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C

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found in taxon

Garcinia xanthochymus

1 reference

stated in

Bioactive benzophenones from Garcinia xanthochymus fruits

Identifiers

InChI

InChI=1S/C37H48O6/c1-21(2)11-13-25-19-36-20-26(17-23(5)6)35(9,10)43-32(36)29(30(40)24-12-14-27(38)28(39)18-24)31(41)37(33(36)42,34(25,7)8)16-15-22(3)4/h11-12,14-15,17-18,25-26,38-39H,13,16,19-20H2,1-10H3/t25-,26+,36+,37+/m0/s1

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InChIKey

TTXCQWGCDMRKBE-MRZLVBHPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105264552)

(1R,3S,9S,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-enyl)-3-(2-methylprop-1-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione

Statements

Identifiers

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