(Q105008368)

English

(1S,3R,4R,6S,8R)-8-benzoyl-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-3-(3-methylbut-2-enyl)tricyclo[4.3.1.13,8]undecane-2,9,11-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-Benzoyl-1-(3,7-dimethylocta-2,6-dienyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-3-(3-methylbut-2-enyl)tricyclo[4.3.1.13,8]undecane-2,9,11-trione

1 reference

based on heuristic

inferred from SMILES

mass

586.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₀O₅

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canonical SMILES

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

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isomeric SMILES

CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3C[C@@H](C(C)(C)O)[C@](CC=C(C)C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C

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found in taxon

Hypericum erectum

1 reference

stated in

Polyprenylated benzoylphloroglucinol-type derivatives including novel cage compounds from Hypericum erectum

Identifiers

InChI

InChI=1S/C38H50O5/c1-24(2)14-13-15-26(5)19-20-36-23-28-22-29(35(8,9)43)37(31(36)40,21-18-25(3)4)33(42)38(32(36)41,34(28,6)7)30(39)27-16-11-10-12-17-27/h10-12,14,16-19,28-29,43H,13,15,20-23H2,1-9H3/b26-19+/t28-,29-,36-,37+,38-/m0/s1

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InChIKey

GGXZVCSJJZPQKC-BZZHEQSESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105008368)

(1S,3R,4R,6S,8R)-8-benzoyl-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-3-(3-methylbut-2-enyl)tricyclo[4.3.1.13,8]undecane-2,9,11-trione

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