Blacknidine

AlkaPlorer ID: AK459325

Synonym: None

IUPAC Name: (1S,2R,3R,4S,5S,6S,8R,9R,10S,13R,16S,17R)-11-ethyl-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol

Structure

SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)(C[C@H]23)[C@@H]14

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InChI: InChI=1S/C23H37NO5/c1-5-24-11-20(2)7-6-16(25)23-13-8-12-14(28-3)9-22(29-4,17(13)18(12)26)21(27,19(23)24)10-15(20)23/h12-19,25-27H,5-11H2,1-4H3/t12-,13-,14+,15-,16+,17-,18+,19-,20+,21-,22-,23-/m1/s1

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InChIKey: MRAUUHCURXZDPX-KJJIZPFLSA-N

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Source

Properties Information

Molecule Weight: 407.5510000000002

TPSA: 82.39000000000001

MolLogP: 1.0196

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information