(Q105381723)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

518.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₂O₅

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C=2C(=O)C3(C(=O)C4(C2OC(C4)C(O)(C)C)CC(CC=C(C)C)C3(C)C)CC=C(C)C

0 references

isomeric SMILES

CC(C)=CC[C@H]1C[C@]23C[C@H](C(C)(C)O)OC2=C(C(=O)c2ccccc2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C

0 references

found in taxon

Hypericum scabrum

1 reference

stated in

Prenylated benzophenones and xanthones from Hypericum scabrum.

Identifiers

InChI

InChI=1S/C33H42O5/c1-20(2)14-15-23-18-32-19-24(31(7,8)37)38-28(32)25(26(34)22-12-10-9-11-13-22)27(35)33(29(32)36,30(23,5)6)17-16-21(3)4/h9-14,16,23-24,37H,15,17-19H2,1-8H3/t23-,24+,32-,33-/m0/s1

0 references

InChIKey

ZQSSRTNPNZIEOJ-GNJBSGFSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZQSSRTNPNZIEOJ-GNJBSGFSSA-N

(Q105381723)

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

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