(Q104920401)

English

(2R)-4beta,6beta-Bis(3-methyl-2-butenyl)-2beta-(2-methyl-1-oxopropyl)-3alpha-(4-methyl-3-pentenyl)-3-methylcyclohexanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-Methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone

1 reference

based on heuristic

inferred from SMILES

mass

400.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₂

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canonical SMILES

O=C(C(C)C)C1C(=O)C(CC=C(C)C)CC(CC=C(C)C)C1(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@H](CC=C(C)C)C(=O)[C@H]1C(=O)C(C)C

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found in taxon

Hypericum perforatum

2 references

stated in

Three new hyperforin analogues from Hypericum perforatum

stated in

Further degradation product of hyperforin from Hypericum perforatum (St John's Wort).

Hypericum yezoense

1 reference

stated in

Yezo’otogirins A–C, new tricyclic terpenoids from Hypericum yezoense

Identifiers

InChI

InChI=1S/C27H44O2/c1-18(2)11-10-16-27(9)23(15-13-20(5)6)17-22(14-12-19(3)4)26(29)24(27)25(28)21(7)8/h11-13,21-24H,10,14-17H2,1-9H3/t22-,23+,24-,27-/m1/s1

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InChIKey

AXAAMKAGJNUYDB-JPYYHWIRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXAAMKAGJNUYDB-JPYYHWIRSA-N

1 reference

(Q104920401)

(2R)-4beta,6beta-Bis(3-methyl-2-butenyl)-2beta-(2-methyl-1-oxopropyl)-3alpha-(4-methyl-3-pentenyl)-3-methylcyclohexanone

Statements

Identifiers

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