(Q105291914)

English

(1R,4R,7S,9R,11R)-1-benzoyl-11-[(2E,6E)-3,8-dimethylnona-2,6-dienyl]-4-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6,6,13,13-tetramethyl-5-oxatetracyclo[7.3.1.03,7.04,11]tridecane-2,12-dione

group of stereoisomers with the chemical formula C₃₉H₅₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

616.376389384 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₂O₆

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canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4(C=CC(O)(C)C)C5CC(CC(C2=O)(CC=C(C)CCC=CC(C)C)C4(O)OC5(C)C)C3(C)C

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isomeric SMILES

C/C(=C\C[C@]12C[C@H]3C[C@@H]4C(C)(C)O[C@@]1(O)C4(/C=C/C(C)(C)O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C)CC/C=C/C(C)C

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found in taxon

Hypericum henryi

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stated in

Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi

Identifiers

InChI

InChI=1S/C39H52O6/c1-25(2)15-13-14-16-26(3)19-20-36-24-28-23-29-35(8,9)45-39(36,44)37(29,22-21-33(4,5)43)32(42)38(31(36)41,34(28,6)7)30(40)27-17-11-10-12-18-27/h10-13,15,17-19,21-22,25,28-29,43-44H,14,16,20,23-24H2,1-9H3/b15-13+,22-21+,26-19+/t28-,29-,36-,37?,38+,39-/m1/s1

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InChIKey

VRQFNQKOVADTLH-NWOPUBSFSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105291914)

(1R,4R,7S,9R,11R)-1-benzoyl-11-[(2E,6E)-3,8-dimethylnona-2,6-dienyl]-4-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6,6,13,13-tetramethyl-5-oxatetracyclo[7.3.1.03,7.04,11]tridecane-2,12-dione

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Identifiers

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