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12-Acetylnapelline

AlkaPlorer ID: AK134614

Synonym: '12-O-Acetylnapelline'

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

Structure

SMILES: C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@@H]2OC(C)=O)[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(27)24-17(22)8-15(20(24)25)23-10-14(12(2)21(23)28)16(9-18(23)24)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: NAPCYARSWDECJP-ORDWSRHTSA-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: 401.5470000000002

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