amataine
AlkaPlorer ID: AK015068
Synonym: '', 'Subssesiline', 'Grandifoline', 'Amataine'
IUPAC Name: methyl (1R,2R,6R,17R,21R,23R,31R,37S,41R,43S,46S,47R)-26-methoxy-3,22,38-trioxa-10,20,24,34-tetrazatetradecacyclo[22.20.1.16,17.131,34.01,21.02,6.09,17.011,16.023,31.023,43.025,30.037,41.020,47.041,46]heptatetraconta-8,11,13,15,25(30),26,28-heptaene-8-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3[C@@]23CCN2[C@@H]4O[C@@]56[C@@H]7C[C@@]4(CN5C4=C(OC)C=CC=C4[C@@]64CCN5CC[C@@H]6OCC[C@]6(C7)[C@H]54)[C@@H]4OCC[C@]4(C1)[C@H]23
InChI: InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1
InChIKey: RZBFPDQKWUWUCK-SFUBKHQQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga africana | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 716.879
TPSA？: 84.97
MolLogP？: 4.526400000000004
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 15