(Q105325916)

English

(1S,5R,7R,9S,11R)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

11-(3,7-Dimethylocta-2,6-dienyl)-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

1 reference

based on heuristic

inferred from SMILES

mass

494.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₄

0 references

canonical SMILES

O=C(C(C)C)C12C(=O)C3(C(=O)C4(C1=O)CCC(C)(C)C4CC(C3)C2(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]4C(C)(C)CC[C@]4(C1=O)C(=O)[C@@](C(=O)C(C)C)(C2=O)C3(C)C

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found in taxon

Hypericum sampsonii

1 reference

stated in

Polyprenylated Phloroglucinol Derivatives from Hypericum sampsonii

Identifiers

InChI

InChI=1S/C32H46O4/c1-19(2)11-10-12-21(5)13-14-30-18-22-17-23-28(6,7)15-16-31(23,25(30)34)27(36)32(26(30)35,29(22,8)9)24(33)20(3)4/h11,13,20,22-23H,10,12,14-18H2,1-9H3/b21-13+/t22-,23-,30-,31+,32-/m1/s1

0 references

InChIKey

XDMXMPLDQPLYCQ-FHPQNJFKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105325916)

(1S,5R,7R,9S,11R)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

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