(Q105163244)

English

(1S,4S,8S,9S,10R)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

chemical compound

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instance of

type of chemical entity

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subclass of

4-(2-Hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

1 reference

based on heuristic

inferred from SMILES

mass

552.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,8S,9S,10R)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₂O₅

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canonical SMILES

O=C1C2=C(OC(C2)C(O)(C)C)C3(C(=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@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2O[C@H](C(C)(C)O)C1

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found in taxon

Hypericum perforatum

1 reference

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)30-26(19-27(40-30)32(9,10)39)29(37)35(33,31(34)38)28(36)24(7)8/h13-14,16,24-25,27,39H,12,15,17-20H2,1-11H3/t25-,27+,33+,34+,35-/m1/s1

0 references

InChIKey

MGDKDTTZQJLKED-XUQGTZLESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105163244)

(1S,4S,8S,9S,10R)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

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