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name Structure Reference Source Properties Activities Metabolism

(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R)-11-ethyl-8,9-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate

AlkaPlorer ID: AK215016

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R)-11-ethyl-8,9-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

Structure

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

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InChI: InChI=1S/C26H41NO7/c1-6-27-12-23(13-31-3)8-7-19(33-5)26-16-9-15-17(32-4)10-24(29,20(16)21(15)34-14(2)28)25(30,22(26)27)11-18(23)26/h15-22,29-30H,6-13H2,1-5H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24-,25-,26-/m1/s1

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InChIKey: IJSCFLPTVFZXRQ-PZOISHGESA-N

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Source

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

Properties Information

Molecule Weight: 479.61400000000026

TPSA？: 97.69

MolLogP？: 1.216900000000001

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information