| 2D Structure | |
| CID | 14463159 |
| IUPAC Name | 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| InChI | InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1 |
| InChI Key | KWBPKUMWVXUSCA-AXQDKOMKSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C36H56O13 |
| Molecular Weight | 696.8 |
| synonyms | ['Periplocin', '13137-64-9', 'Periplocoside', '199X940O3K', '3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one', 'DTXSID501030586', '3-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-((2R,4S,5R,6R)-4-methoxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one', 'RefChem:171780', 'DTXCID301515671', 'Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3beta,5beta)-', 'Glucoperiplocymarin', 'UNII-199X940O3K', 'Periplocin?', 'C36H56O13', 'MFCD01745141', 'Periplogenin + D-cymarose + D-glucose', 'Periplocin (Standard)', 'BRN 0075742', 'PERIPLOCIN [MI]', 'Periplogenin + D-cymarose + D-glucose [German]', '4-18-00-02439 (Beilstein Handbook Reference)', 'orb1301264', 'CHEMBL5559834', 'PERIPLOGENIN 3-O-BETA-GLUCOPYRANOSYL-(1-4)-BETA-SARMENTOPYRANOSIDE', 'SCHEMBL25639507', 'HY-N1381R', 'CHEBI:233596', 'HY-N1381', 'MSK169180', 's9181', 'AKOS030573522', 'CCG-270383', 'EBC-615393', 'FP63150', '4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-3a,5a-dihydroxy-7-{[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one', 'AC-34379', 'AS-75113', 'DA-56701', 'CS-0016801', 'Q27252090', 'PERIPLOGENIN 3-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-CYMAROPYRANOSIDE)', '3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one', '4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-3-(((2R,4S,5R,6R)-4-methoxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one', 'CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-3-O-METHYL-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-5,14-DIHYDROXY-, (3.BETA.,5.BETA.)-', 'Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-, (3-beta,5-beta)-', 'Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-|A-D-glucopyranosyl-3-O-methyl-|A-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3|A,5|A)-', 'PeriplocinGlucoperiplocymarin; 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one'] |
From Pubchem