(Q105218156)

English

(1S,4aR,7R,7aR)-4a-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde

chemical compound

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instance of

type of chemical entity

0 references

1 reference

360.142032348 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4aS,7S,7aS)-4a-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4aR,7R,7aR)-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4aR,7R,7aR)-4a-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde

1 reference

based on heuristic

inferred from InChI

Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-, (1S,4aR,7S,7aR)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₉

0 references

canonical SMILES

O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)CCC13O

0 references

isomeric SMILES

C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12

0 references

found in taxon

Leucocarpus perfoliatus

1 reference

stated in

Iridoidglucoside ausLeucocarpus perfoliatusG. DON. 174. Mitteilung über organische Naturstoffe

Identifiers

InChI

InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11+,12-,13+,14+,15-,16+/m1/s1

0 references

InChIKey

QCCRICPXIMDIGF-MXAFEGNTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105218156)

(1S,4aR,7R,7aR)-4a-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde

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