(Q105225153)

English

(1R,5R,7S,8R)-4-hydroxy-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-Hydroxy-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2-one

1 reference

based on heuristic

inferred from SMILES

mass

508.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₂O₃

0 references

canonical SMILES

O=C1C(=C(O)C2(CC=C(C)C)CC(CC=C(C)C)C(CCC=C(C)C)C1(C(=O)C(C)C)C2)CC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@@H]1[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O

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found in taxon

Hypericum perforatum

1 reference

stated in

High-Performance Liquid Chromatography On-Line Coupled to High-Field NMR and Mass Spectrometry for Structure Elucidation of Constituents ofHypericum perforatumL.

Identifiers

InChI

InChI=1S/C34H52O3/c1-22(2)12-11-13-29-27(16-14-23(3)4)20-33(19-18-25(7)8)21-34(29,30(35)26(9)10)32(37)28(31(33)36)17-15-24(5)6/h12,14-15,18,26-27,29,36H,11,13,16-17,19-21H2,1-10H3/t27-,29+,33-,34+/m0/s1

0 references

InChIKey

QOVWXXKVLJOKNW-OEMBZRQFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QOVWXXKVLJOKNW-OEMBZRQFSA-N

(Q105225153)

(1R,5R,7S,8R)-4-hydroxy-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2-one

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