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15-Benzoylpseudokobusine

AlkaPlorer ID: AK038871

Synonym: 'Pseudokobusine 15-benzoate'

IUPAC Name: [(1R,5S,8R,9S,11R,13R,14R,16R,17R,18S,19S)-16,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-yl] benzoate

Structure

SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@@]5(O)[C@H]67)[C@@H]1OC(=O)C1=CC=CC=C1

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InChI: InChI=1S/C27H31NO4/c1-14-16-11-17-20-25-10-6-9-24(2)13-28(20)27(31,23(24)25)12-26(17,19(25)18(16)29)21(14)32-22(30)15-7-4-3-5-8-15/h3-5,7-8,16-21,23,29,31H,1,6,9-13H2,2H3/t16-,17-,18+,19+,20-,21-,23-,24-,25+,26-,27-/m1/s1

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InChIKey: WWVFYKBASWLHCJ-RZQWVXRMSA-N

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Source

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

Properties Information

Molecule Weight: 433.5480000000001

TPSA？: 70.0

MolLogP？: 2.9779000000000018

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information