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name Structure Reference Source Properties Activities Metabolism

(1S,2S,3S,4S,5S,6R,8S,9R,10R,13R,17S,18S)-11-ethyl-4,6,13,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-8,9-diol

AlkaPlorer ID: AK201144

Synonym: None

IUPAC Name: (1S,2S,3S,4S,5S,6R,8S,9R,10R,13R,17S,18S)-11-ethyl-4,6,13,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol

Structure

SMILES: CCN1C[C@@]2(OC)CCC[C@@]34[C@@H]1[C@@](O)([C@@H](OC)[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2OC

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InChI: InChI=1S/C24H39NO6/c1-6-25-12-21(31-5)8-7-9-22-14-10-13-15(28-2)11-23(26,16(14)17(13)29-3)24(27,20(22)25)19(30-4)18(21)22/h13-20,26-27H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18-,19-,20+,21-,22-,23-,24-/m0/s1

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InChIKey: RKBFEMRBRGHDEZ-GEEKUPEASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aconitum monticola Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 437.5770000000002

TPSA？: 80.62000000000002

MolLogP？: 1.052600000000001

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information