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name Structure Reference Source Properties Activities Metabolism

(1S,2S,4S,6S,9R,10S,11S,13S,14R,15S,16S,17S,18S)-8-ethyl-2,16-dihydroxy-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.1¹⁴,¹⁷.0¹,⁹.0⁴,⁶.0⁶,¹⁸.0¹¹,¹⁶]icosan-11-yl acetate

AlkaPlorer ID: AK107650

Synonym: None

IUPAC Name: [(1S,2S,4S,6S,9R,10S,11S,13S,14R,15S,16S,17S,18S)-8-ethyl-2,16-dihydroxy-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosan-11-yl] acetate

Structure

SMILES: CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]3C[C@@H]([C@@H]12)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC

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InChI: InChI=1S/C24H35NO7/c1-5-25-10-21-15-7-13-19(25)23(15,17(27)8-18(21)32-21)16-6-12-14(29-3)9-22(13,31-11(2)26)24(16,28)20(12)30-4/h12-20,27-28H,5-10H2,1-4H3/t12-,13+,14+,15-,16+,17+,18+,19-,20+,21-,22+,23+,24+/m1/s1

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InChIKey: ILGAPGCSXYBIJK-KTNVHQDHSA-N

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Source

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

Properties Information

Molecule Weight: 449.54400000000027

TPSA？: 100.99

MolLogP？: 0.3316000000000017

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information