(Q105324029)

English

(1R,5S,6R,8aR)-1-(furan-3-yl)-4-hydroxy-5,8a-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-1H-isochromen-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(furan-3-yl)-4-hydroxy-5,8a-dimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-1H-isochromen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

440.168247096 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₁₀

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1O)C(C)C(OC4OC(CO)C(O)C(O)C4O)CC3)C

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isomeric SMILES

C[C@H]1C2=C(O)C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Dictamnus dasycarpus

1 reference

stated in

Neuroprotective limonoids of root bark of Dictamnus dasycarpus

Identifiers

InChI

InChI=1S/C21H28O10/c1-9-11(29-20-17(26)16(25)14(23)12(7-22)30-20)3-5-21(2)13(9)15(24)19(27)31-18(21)10-4-6-28-8-10/h4,6,8-9,11-12,14,16-18,20,22-26H,3,5,7H2,1-2H3/t9-,11-,12-,14-,16+,17-,18+,20-,21-/m1/s1

0 references

InChIKey

XAOOOVFRRCYNSK-ONSJZDGLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XAOOOVFRRCYNSK-ONSJZDGLSA-N

(Q105324029)

(1R,5S,6R,8aR)-1-(furan-3-yl)-4-hydroxy-5,8a-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-1H-isochromen-3-one

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