(Q105313400)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

404.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5,9-Epi-7,8-didehydropenstemoside

1 reference

based on heuristic

inferred from InChI

7,8-Didehydropenstemoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₁₁

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13O)C

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C)=C[C@H](O)[C@@]12O

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found in taxon

Penstemon centranthifolius

1 reference

stated in

Antibiofilm phenylethanoid glycosides from Penstemon centranthifolius.

Identifiers

InChI

InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h3,5,8-13,15-16,18-22,24H,4H2,1-2H3/t8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1

0 references

InChIKey

WUZGENDUAYSYJW-OONZBJFNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WUZGENDUAYSYJW-OONZBJFNSA-N

(Q105313400)

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

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Identifiers

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