UNPD40886

AlkaPlorer ID: AK016331

Synonym: None

IUPAC Name: [(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate

Structure

SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)(C(C)C)[C@@H](C)OC)[C@H]12

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InChI: InChI=1S/C21H33NO6/c1-7-14(4)19(23)28-17-9-11-22-10-8-16(18(17)22)12-27-20(24)21(25,13(2)3)15(5)26-6/h7-8,13,15,17-18,25H,9-12H2,1-6H3/b14-7-/t15-,17+,18-,21-/m1/s1

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InChIKey: VCEBYLMAPKBSMV-WDXVEXMESA-N

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Reference

PubChem CID: 162889869

SuperNatural Ⅲ: SN0386383-02

NPASS: NPC126471

Properties Information

Molecule Weight: 395.4960000000001

TPSA: 85.3

MolLogP: 1.8439

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information