(Q105369268)

English

(1R,4R,8R,9R,10S)-8-benzoyl-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-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

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

1 reference

based on heuristic

inferred from SMILES

mass

586.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₀O₅

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4=C(OC(C4)C(O)(C)C)C(C2=O)(CC=C(C)C)CC(CC=C(C)C)C3(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@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)C1=C2O[C@@H](C(C)(C)O)C1

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found in taxon

Hypericum henryi

1 reference

stated in

Polycyclic polyprenylated acylphloroglucinols and chromone O-glucosides from Hypericum henryi subsp. uraloides

Identifiers

InChI

InChI=1S/C38H50O5/c1-24(2)14-13-20-36(9)28(18-17-25(3)4)23-37(21-19-26(5)6)33-29(22-30(43-33)35(7,8)42)32(40)38(36,34(37)41)31(39)27-15-11-10-12-16-27/h10-12,14-17,19,28,30,42H,13,18,20-23H2,1-9H3/t28-,30+,36+,37+,38-/m0/s1

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InChIKey

YZIYZGORSQUAAQ-MWBWDDEDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105369268)

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

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