(Q105259307)

English

(2S,4S,8S,9R,12S)-11-hydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-5-oxatricyclo[6.3.1.04,12]dodec-1(11)-ene-6,10-dione

chemical compound

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instance of

type of chemical entity

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subclass of

11-hydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-(3-methyl-5-oxo-2H-furan-2-yl)-5-oxatricyclo[6.3.1.0⁴,¹²]dodec-1(11)-ene-6,10-dione

1 reference

based on heuristic

inferred from SMILES

2H-Cyclopenta(ij)(2)benzopyran-2,5(3H)-dione, 7-((2S)-2,5-dihydro-3-methyl-5-oxo-2-furanyl)-3a,4,7,8,8a,8b-hexahydro-6-hydroxy-8b-(hydroxymethyl)-4,7-dimethyl-, (2S,3aS,4R,7S,8aR,8bS)-

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₇

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canonical SMILES

O=C1OC(C(=C1)C)C2(C3=C(O)C(=O)C(C)C4CC(=O)OC(C2)C34CO)C

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isomeric SMILES

CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@@H]2OC(=O)C[C@H]3[C@@H](C)C(=O)C(O)=C1[C@@]23CO

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found in taxon

Ailanthus altissima

1 reference

stated in

Structure Determination of Bitter Principles ofAilanthus altissima. Structures of Shinjulactones B, D, and E

Identifiers

InChI

InChI=1S/C19H22O7/c1-8-4-12(21)26-17(8)18(3)6-11-19(7-20)10(5-13(22)25-11)9(2)14(23)15(24)16(18)19/h4,9-11,17,20,24H,5-7H2,1-3H3/t9-,10+,11+,17+,18+,19-/m1/s1

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InChIKey

SRNFRTSVHROPLE-IYNDHJDISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105259307)

(2S,4S,8S,9R,12S)-11-hydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-5-oxatricyclo[6.3.1.04,12]dodec-1(11)-ene-6,10-dione

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