(Q105230342)

English

[(1R,3R,5S,6S,7S)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

255.147058152 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R,5R,6R,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3R,5R,6R,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1R,3R,5S,6S,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₂₁NO₄

0 references

canonical SMILES

O=C(OC1C(O)C2N(C)C1CC(O)C2)C(=CC)C

0 references

isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2C[C@@H](O)C[C@@H]1N2C

0 references

found in taxon

Datura innoxia

1 reference

stated in

Phytochemical investigation of Datura innoxia

Datura inoxia

1 reference

stated in

Phytochemical investigation of Datura innoxia

Identifiers

InChI

InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-12-10-6-8(15)5-9(11(12)16)14(10)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8-,9-,10+,11+,12+/m1/s1

0 references

InChIKey

QYQKPLMVSBIKQI-WHDPZKHGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QYQKPLMVSBIKQI-WHDPZKHGSA-N

(Q105230342)

[(1R,3R,5S,6S,7S)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate

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Identifiers

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