(Q105140561)

English

(3R,3aR,3a1R,4S,7S,8aR)-3,3a,6-Trihydroxy-3a1-(hydroxymethyl)-4,7-dimethyl-7-((R)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl)-3a,3a1,4,7,8,8a-hexahydro-2H-cyclopenta[ij]isochromene-2,5(3H)-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

394.126382284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aR,3a1R,4R,7S,8aR)-3,3a,6-Trihydroxy-3a1-(hydroxymethyl)-4,7-dimethyl-7-((R)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl)-3a,3a1,4,7,8,8a-hexahydro-2H-cyclopenta[ij]isochromene-2,5(3H)-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₉

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canonical SMILES

O=C1OC(C(=C1)C)C2(C3=C(O)C(=O)C(C)C4(O)C(O)C(=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@H](O)[C@@]3(O)[C@H](C)C(=O)C(O)=C1[C@@]23CO

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found in taxon

Eurycoma longifolia

1 reference

stated in

Five new quassinoids and cytotoxic constituents from the roots of Eurycoma longifolia

Identifiers

InChI

InChI=1S/C19H22O9/c1-7-4-10(21)28-15(7)17(3)5-9-18(6-20)13(17)12(23)11(22)8(2)19(18,26)14(24)16(25)27-9/h4,8-9,14-15,20,23-24,26H,5-6H2,1-3H3/t8-,9-,14+,15-,17+,18-,19+/m1/s1

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InChIKey

KFTXUZYEPRMYJV-HTPTWFILSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFTXUZYEPRMYJV-HTPTWFILSA-N

1 reference

(Q105140561)

(3R,3aR,3a1R,4S,7S,8aR)-3,3a,6-Trihydroxy-3a1-(hydroxymethyl)-4,7-dimethyl-7-((R)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl)-3a,3a1,4,7,8,8a-hexahydro-2H-cyclopenta[ij]isochromene-2,5(3H)-dione

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