(Q105171769)

English

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

group of stereoisomers with the chemical formula C₃₃H₄₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

534.298139064 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₆

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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)C)C4(O)OC5(C)C)C3(C)C

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isomeric SMILES

CC(C)=CC[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

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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/C33H42O6/c1-20(2)14-15-30-19-22-18-23-29(7,8)39-33(30,38)31(23,17-16-27(3,4)37)26(36)32(25(30)35,28(22,5)6)24(34)21-12-10-9-11-13-21/h9-14,16-17,22-23,37-38H,15,18-19H2,1-8H3/b17-16+/t22-,23-,30-,31?,32+,33-/m1/s1

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InChIKey

MTLNMJHSFWGPPG-VQLZADIRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MTLNMJHSFWGPPG-VQLZADIRSA-N

1 reference

(Q105171769)

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

Statements

Identifiers

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