CID 163196230

AlkaPlorer ID: AK002729

Synonym: None

IUPAC Name: [(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Structure

SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@]([C@H](C)O)(C(C)(C)O)O)[O-]

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InChI: InChI=1S/C20H31NO8/c1-6-12(2)17(23)29-15-8-10-21(27)9-7-14(16(15)21)11-28-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20+,21?/m0/s1

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InChIKey: KDJGEXAPDZNXSD-MIFYRBSSSA-N

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Properties Information

Molecule Weight: 413.4670000000001

TPSA: 136.35

MolLogP: 0.3173000000000004

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information