(Q105236250)

English

(1R,3R,8S,10S)-8-benzoyl-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-10-[(E)-3-hydroxy-3-methylbut-1-enyl]-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-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

0 references

subclass of

8-Benzoyl-6-(2-hydroxy-3-methylbut-3-enyl)-10-(3-hydroxy-3-methylbut-1-enyl)-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

1 reference

based on heuristic

inferred from SMILES

mass

550.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₇

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C(=C4OC(CC4(C2=O)CC(C=CC(O)(C)C)C3(C)C)C(O)(C)C)CC(O)C(=C)C

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isomeric SMILES

C=C(C)[C@H](O)CC1=C2O[C@@H](C(C)(C)O)C[C@]23C[C@@H](/C=C/C(C)(C)O)C(C)(C)[C@](C(=O)c2ccccc2)(C1=O)C3=O

0 references

found in taxon

Hypericum scabrum

2 references

stated in

Prenylated benzophenones and xanthones from Hypericum scabrum.

stated in

Benzoylphloroglucinol derivatives from Hypericum scabrum.

Identifiers

InChI

InChI=1S/C33H42O7/c1-19(2)23(34)16-22-26(36)33(25(35)20-12-10-9-11-13-20)28(37)32(18-24(31(7,8)39)40-27(22)32)17-21(30(33,5)6)14-15-29(3,4)38/h9-15,21,23-24,34,38-39H,1,16-18H2,2-8H3/b15-14+/t21-,23-,24-,32-,33-/m1/s1

0 references

InChIKey

RHBKQSJAFOEXDI-JEIJRTSGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHBKQSJAFOEXDI-JEIJRTSGSA-N

(Q105236250)

(1R,3R,8S,10S)-8-benzoyl-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-10-[(E)-3-hydroxy-3-methylbut-1-enyl]-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

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