(Q104997320)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,4aR,7S,7aS)-5-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

390.152597032 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₁₀

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canonical SMILES

O=C(OC1(C)CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)C

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isomeric SMILES

CC(=O)O[C@@]1(C)C[C@@H](O)[C@H]2C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]21

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found in taxon

Leonurus cardiaca

1 reference

stated in

Naturstoffe aus Arzneipflanzen, XVIII1) Isolierung und Konstitutionsaufklärung eines neuen C15-Iridoidglucosids ausLeonurus cardiaca L.

Leonurus persicus

1 reference

stated in

Iridoid glycosides of Leonurus persicus

Scrophularia deserti

1 reference

stated in

Antimicrobial constituents of Scrophularia deserti

Identifiers

InChI

InChI=1S/C17H26O10/c1-7(19)27-17(2)5-9(20)8-3-4-24-15(11(8)17)26-16-14(23)13(22)12(21)10(6-18)25-16/h3-4,8-16,18,20-23H,5-6H2,1-2H3/t8-,9-,10+,11-,12-,13-,14+,15+,16-,17+/m1/s1

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InChIKey

FLOXQRMTDDOZKF-OEBNIQCASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

FLOXQRMTDDOZKF-OEBNIQCASA-N

1 reference

(Q104997320)

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

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