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wilforine

AlkaPlorer ID: AK017560

Synonym: '(8alpha)-8-(Acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxoevonimine', '26-Deoxywilfordine', 'Wilforine'

IUPAC Name: [(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25S,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O)[C@]4(C)O

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InChI: InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33-,34-,35+,36-,40-,41-,42+,43-/m0/s1

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InChIKey: ZOCKGJZEUVPPPI-KTUPBKDCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Peritassa campestris Peritassa Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 867.8540000000003

TPSA？: 252.75

MolLogP？: 2.1565000000000034

Number of H-Donors: 1

Number of H-Acceptors: 19

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information