(Q105003453)

English

[(1S,4R,5R,7S,8R,11R,19R)-4,5-dihydroxy-14,17-dimethyl-6-methylidene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-13,15,17-trien-8-yl] (2R)-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4,5-Dihydroxy-14,17-dimethyl-6-methylidene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-13,15,17-trien-8-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

442.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₇

0 references

canonical SMILES

O=C1OC2CC=3C(=CC=C(C3C4C5(O)OCC24C(C(=C)C5O)C1OC(=O)C(C)CC)C)C

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isomeric SMILES

C=C1[C@@H]2[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@@H]3Cc4c(C)ccc(C)c4[C@@H]4[C@]23CO[C@@]4(O)[C@@H]1O

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found in taxon

Ailanthus excelsa

1 reference

stated in

Quassinoids from Ailanthus excelsa

Identifiers

InChI

InChI=1S/C25H30O7/c1-6-11(2)22(27)32-19-18-14(5)21(26)25(29)20-17-13(4)8-7-12(3)15(17)9-16(31-23(19)28)24(18,20)10-30-25/h7-8,11,16,18-21,26,29H,5-6,9-10H2,1-4H3/t11-,16-,18-,19-,20-,21-,24+,25-/m1/s1

0 references

InChIKey

FWOOAIUXRZKGDJ-IMZWMYMGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWOOAIUXRZKGDJ-IMZWMYMGSA-N

(Q105003453)

[(1S,4R,5R,7S,8R,11R,19R)-4,5-dihydroxy-14,17-dimethyl-6-methylidene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-13,15,17-trien-8-yl] (2R)-2-methylbutanoate

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