(Q105370771)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

362.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₆O₉

0 references

canonical SMILES

O=CC1COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)CCC13O

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isomeric SMILES

C[C@@H]1CC[C@]2(O)[C@H](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

Penstemon crandallii

1 reference

stated in

Verbascoside derivatives and iridoid glycosides from Penstemon crandallii

Identifiers

InChI

InChI=1S/C16H26O9/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/h4,7-15,18-22H,2-3,5-6H2,1H3/t7-,8-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1

0 references

InChIKey

ZBPVALREIFKLPB-DRCAGEJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZBPVALREIFKLPB-DRCAGEJOSA-N

(Q105370771)

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

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