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2-Isobutyryl-14-hydroxyhetisine

AlkaPlorer ID: AK038499

Synonym: 'Guan-fu base Z'

IUPAC Name: [(1S,3S,5R,8S,9R,10S,11R,14R,16S,17R,18S,19S)-9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] 2-methylpropanoate

Structure

SMILES: C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(=O)C(C)C)C[C@@]57[C@@H]2[C@H](O)[C@@H]1[C@H](O)[C@]3(O)[C@H]7N4C6

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InChI: InChI=1S/C24H33NO5/c1-10(2)19(28)30-12-6-21(4)9-25-13-8-22-5-11(3)14-15(26)17(22)23(7-12,16(13)21)20(25)24(22,29)18(14)27/h10,12-18,20,26-27,29H,3,5-9H2,1-2,4H3/t12-,13-,14+,15+,16+,17+,18-,20-,21-,22+,23-,24-/m0/s1

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InChIKey: BKHLAQWOXOLRLR-NBNRPSMLSA-N

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Source

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

Properties Information

Molecule Weight: 415.5300000000001

TPSA？: 90.23

MolLogP？: 1.0858

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information