(Q115950795)

English

methyl (1S,2S,3S,7S,9S,11R)-11-hydroxy-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 11-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate

1 reference

based on heuristic

inferred from InChIKey

mass

420.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,2S,3S,7S,9S,11S)-11-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,2S,3S,7S,9S,11R)-11-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₁₂

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C4OC(OC4O)CC13

0 references

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]2[C@@H]3O[C@H](C[C@H]12)O[C@H]3O

0 references

found in taxon

Galium album

1 reference

stated in

Secogalioside, an Iridoid Glucoside from Galium album Mill. and 13C NMR Spectra of Some Seco-iridoid Glucosides.

Galium mollugo

1 reference

stated in

Secogalioside, an Iridoid Glucoside from Galium album Mill. and 13C NMR Spectra of Some Seco-iridoid Glucosides.

Identifiers

InChI

InChI=1S/C17H24O12/c1-24-14(22)6-4-25-16(9-5(6)2-8-27-13(9)15(23)28-8)29-17-12(21)11(20)10(19)7(3-18)26-17/h4-5,7-13,15-21,23H,2-3H2,1H3/t5-,7-,8+,9+,10-,11-,12+,13+,15-,16+,17+/m1/s1

0 references

InChIKey

PSTHWEAXBIXPRZ-DZUQHJBLSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PSTHWEAXBIXPRZ-DZUQHJBLSA-N

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