(Q19596786)

7-Deoxyloganate (English)

5 October 2016

stereoisomer of

5-Epideoxyloganic acid

1 reference

(1R,4aR,7S,7aS)-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

inferred from InChI

1 reference

inferred from InChI

8-Epideoxyloganic acid

1 reference

inferred from InChI

chemical formula

C₁₆H₂₄O₉

1 reference

7-Deoxyloganate (English)

5 October 2016

canonical SMILES

CC1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O

1 reference

7-Deoxyloganate (English)

5 October 2016

isomeric SMILES

C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

1 reference

Investigation of Uña De Gato I. 7-Deoxyloganic acid and 15N NMR spectroscopic studies on pentacyclic oxindole alkaloids from Uncaria tomentosa

7-Deoxyloganate (English)

5 October 2016

1 reference

Crotalaria emarginella

1 reference

Crotasteroiridocin: A New Steroiridoid from Crotalaria emarginella and its anti-Inflammatory Activity

Verbena officinalis

1 reference

Biosynthesis of the iridoid glucoside cornin in Verbena officinalis

Centaurium erythraea

1 reference

Organ-specific and genotype-dependent constitutive biosynthesis of secoiridoid glucosides in Centaurium erythraea Rafn, and its elicitation with methyl jasmonate

Verbena officinalis var. officinalis

1 reference

Biosynthesis of the iridoid glucoside cornin in Verbena officinalis

Identifiers

InChI

InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1

1 reference

7-Deoxyloganate (English)

5 October 2016

2 references

7-Deoxyloganate (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

22487-36-1

1 reference

https://commonchemistry.cas.org/detail?cas_rn=22487-36-1

8 April 2021

1 reference

(1S,4aS,7S,7aR)-1-(beta-D-Glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid (English)

5 October 2016

1 reference

7-Deoxyloganate (English)

5 October 2016

Reaxys registry number

1691468

1 reference

7-deoxyloganic acid (English)

5 October 2016

ChEBI ID

2260

mapping relation type

2 references

7-deoxyloganic acid (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1

SureChEMBL ID

SCHEMBL20572414

2 references

inferred from InChIKey

1 reference

NMRShiftDB structure ID

11429

1 reference

DSSTOX compound identifier

DSSTox substance ID

DTXSID40945163

0 references

DTXCID101373489

0 references

UNII

SZ67QWR9D3

1 reference

1 reference

7-deoxyloganic acid (English)