(Q104989702)

English

2-{[(2R,6S)-11,13-dihydroxy-4,4,7,7-tetramethyl-12-(2-methylpropanoyl)-8-oxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-10-yl]methyl}-3,5-dihydroxy-4,4-dimethyl-6-(2-methylpropanoyl)cyclohexa-2,5-dien-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-{[11,13-dihydroxy-4,4,7,7-tetramethyl-12-(2-methylpropanoyl)-8-oxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-10-yl]methyl}-3,5-dihydroxy-4,4-dimethyl-6-(2-methylpropanoyl)cyclohexa-2,5-dien-1-one

1 reference

based on heuristic

inferred from SMILES

mass

568.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₄O₈

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canonical SMILES

O=C1C(C(=O)C(C)C)=C(O)C(C(O)=C1CC2=C(O)C(=C(O)C3=C2OC(C)(C)C4CC(C)(C)CC34)C(=O)C(C)C)(C)C

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isomeric SMILES

CC(C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C(=O)C(C)C)c(O)c3c2OC(C)(C)[C@H]2CC(C)(C)C[C@@H]32)C1=O

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found in taxon

Hypericum brasiliense

1 reference

stated in

Antibacterial phloroglucinols and flavonoids from Hypericum brasiliense

Identifiers

InChI

InChI=1S/C33H44O8/c1-14(2)23(34)21-25(36)16(11-17-26(37)22(24(35)15(3)4)30(40)32(7,8)29(17)39)28-20(27(21)38)18-12-31(5,6)13-19(18)33(9,10)41-28/h14-15,18-19,36,38-40H,11-13H2,1-10H3/t18-,19+/m1/s1

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InChIKey

DUYPYMYECSWIOW-MOPGFXCFSA-N

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(Q104989702)

2-{[(2R,6S)-11,13-dihydroxy-4,4,7,7-tetramethyl-12-(2-methylpropanoyl)-8-oxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-10-yl]methyl}-3,5-dihydroxy-4,4-dimethyl-6-(2-methylpropanoyl)cyclohexa-2,5-dien-1-one

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