(Q105271962)

English

(1S,8R,9R,10S)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-Methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

1 reference

based on heuristic

inferred from SMILES

mass

494.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₄

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canonical SMILES

O=C1C(=C2OCCC23C(=O)C1(C(=O)C(C)C)C(C)(CCC=C(C)C)C(CC=C(C)C)C3)CC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23CCOC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O

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found in taxon

Hypericum perforatum

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C32H46O4/c1-20(2)11-10-16-30(9)24(14-12-21(3)4)19-31-17-18-36-28(31)25(15-13-22(5)6)27(34)32(30,29(31)35)26(33)23(7)8/h11-13,23-24H,10,14-19H2,1-9H3/t24-,30+,31+,32-/m0/s1

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InChIKey

UFLRPJGNURHISL-FTVIZOJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UFLRPJGNURHISL-FTVIZOJLSA-N

(Q105271962)

(1S,8R,9R,10S)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

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Identifiers

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