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

AlkaPlorer ID: AK144452

Synonym: None

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

Structure

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

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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

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InChIKey: QYQKPLMVSBIKQI-BFWODJAFSA-N

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Reference

Alkaloids of Datura suaveolens

PubChem CID: 21770005

LOTUS: LTS0134513

SuperNatural Ⅲ: SN0318707-01

NPASS: NPC109862

Properties Information

Molecule Weight: 255.314

TPSA: 70.0

MolLogP: 0.0625999999999995

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information