| 2D Structure | |
| CID | 30185 |
| IUPAC Name | (2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| InChI | InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1 |
| InChI Key | ZGVSETXHNHBTRK-OTYSSXIJSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C45H73NO15 |
| Molecular Weight | 868.1 |
| synonyms | ['Solatunine', 'SOLANINE', 'alpha-Solanin', '15XXN7Q45T', 'beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-', 'CHEBI:9188', 'RefChem:931952', 'DTXSID801053062', '(22beta)-solanid-5-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-(beta-D-glucopyranosyl-(1->3))-beta-D-galactopyranoside', '2-(5-hydroxy-6-(hydroxymethyl)-2-((10,14,16,20-tetramethyl-22-azahexacyclo(12.10.0.02,11.05,10.015,23.017,22)tetracos-4-en-7-yl)oxy)-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol', '243-879-8', '3FYV8328OK', '.alpha.-Solanine', 'CCRIS 6507', 'HSDB 3539', 'EINECS 243-879-8', 'BRN 0077607', 'SOLANINE [HSDB]', 'UNII-15XXN7Q45T', 'SCHEMBL2380172', '.ALPHA.-SOLANINE [MI]', 'CHEMBL1212997', 'CCG-208539', 'beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))', 'Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl)-O-(beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-', 'Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-galactopyranosyl)oxy)-', 'F82201', '4-21-00-01402 (Beilstein Handbook Reference)', '.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-'] |
From Pubchem