| 2D Structure | |
| CID | 159331 |
| IUPAC Name | 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2S,3R,4R,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| InChI | InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22?,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34+,35+,36+,37+,38-,39+,40-,41+,42-/m0/s1 |
| InChI Key | GZVMBXDQUQRICT-TZNWHQCUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C42H66O18 |
| Molecular Weight | 859.0 |
| synonyms | ['Thevetin', 'Thevetine', '11018-93-2', 'LZA2QYU7PA', 'RefChem:189231', 'DTXSID601052925', '234-249-3', '3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2S,3R,4R,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one', 'EINECS 234-249-3', 'UNII-LZA2QYU7PA', 'SCHEMBL29463277', 'GZVMBXDQUQRICT-TZNWHQCUSA-N'] |
From Pubchem