(Q105257725)

English

[(1S,4aS,7S,7aR)-4-[[(2R,3S,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[4-[[3,5-Dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

444.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aS,7S,7aS)-4-[[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₁₀

0 references

canonical SMILES

O=C(OC1OC=C(COC2OC(CO)C(O)C(=O)C2O)C3CCC(CO)C13)CC(C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Penstemon procerus

1 reference

stated in

Iridoid glycosides from Penstemon confertus

Identifiers

InChI

InChI=1S/C21H32O10/c1-10(2)5-15(24)31-20-16-11(6-22)3-4-13(16)12(8-28-20)9-29-21-19(27)18(26)17(25)14(7-23)30-21/h8,10-11,13-14,16-17,19-23,25,27H,3-7,9H2,1-2H3/t11-,13-,14+,16+,17+,19-,20+,21-/m1/s1

0 references

InChIKey

SQAHFLZTNKHFLW-VRCLXVOJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105257725)

[(1S,4aS,7S,7aR)-4-[[(2R,3S,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

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Identifiers

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