Spiradine A

AlkaPlorer ID: AK039356

Synonym: '', 'Spiradine A'

IUPAC Name: (16S)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one

Structure

SMILES: C=C1CC23C[C@]4(O)C5C6(C)CCCC57C(C2CC1C(=O)C37)N4C6

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InChI: InChI=1S/C20H25NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-12,14-16,23H,1,3-9H2,2H3/t11?,12?,14?,15?,16?,17?,18?,19?,20-/m0/s1

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InChIKey: YWJLOJZDBLDKSA-DWOQJYHUSA-N

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Reference

PubChem CID: 5321444

NPASS: NPC7987

Properties Information

Molecule Weight: 311.425

TPSA: 40.54

MolLogP: 2.3506

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information