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name Structure Reference Source Properties Activities Metabolism

(1R,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-4,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-7-yl acetate

AlkaPlorer ID: AK053944

Synonym: None

IUPAC Name: [(1R,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-4,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-7-yl] acetate

Structure

SMILES: C=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H](C[C@H]2O)[C@]12[C@@H]4C[C@H]3[C@H]1N(CC)C[C@]4(C)CC[C@@H]2O

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InChI: InChI=1S/C24H35NO4/c1-5-25-11-22(4)7-6-19(28)24-17(22)8-15(20(24)25)23-10-14(16(27)9-18(23)24)12(2)21(23)29-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15+,16-,17-,18-,19+,20-,21-,22+,23+,24+/m1/s1

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InChIKey: CZXUYBQFBFSXKM-VOLQROPTSA-N

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Source

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

Properties Information

Molecule Weight: 401.54700000000025

TPSA？: 70.0

MolLogP？: 2.362600000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information