(Q104400211)

English

4-(2-Hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

group of stereoisomers with the chemical formula C₃₅H₅₂O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

552.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₅

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canonical SMILES

O=C1C2=C(OC(C2)C(O)(C)C)C3(C(=O)C(C)C)C(=O)C1(CC=C(C)C)CC(CC=C(C)C)C3(C)CCC=C(C)C

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found in taxon

Hypericum perforatum

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stated in

Prenylated Phloroglucinol Derivatives from Hypericum perforatum var. angustifolium

Identifiers

InChI

InChI=1S/C35H52O5/c1-21(2)13-12-17-33(11)25(15-14-22(3)4)20-34(18-16-23(5)6)29(37)26-19-27(32(9,10)39)40-30(26)35(33,31(34)38)28(36)24(7)8/h13-14,16,24-25,27,39H,12,15,17-20H2,1-11H3

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InChIKey

GYUGXZHHAUMPEL-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104400211)

4-(2-Hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

Statements

Identifiers

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