| 2D Structure | |
| CID | 16749736 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2E,6E,10E)-12-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol |
| InChI | InChI=1S/C51H86O28/c1-19(11-9-13-21(3)18-69-51-45(79-49-41(67)37(63)31(57)25(7)73-49)43(33(59)27(17-53)75-51)77-47-39(65)35(61)29(55)23(5)71-47)10-8-12-20(2)14-15-68-50-44(78-48-40(66)36(62)30(56)24(6)72-48)42(32(58)26(16-52)74-50)76-46-38(64)34(60)28(54)22(4)70-46/h10,13-14,22-67H,8-9,11-12,15-18H2,1-7H3/b19-10+,20-14+,21-13+/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45+,46-,47-,48-,49-,50+,51+/m0/s1 |
| InChI Key | OHLBTNZSOHMDGY-INCFWIFESA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C51H86O28 |
| Molecular Weight | 1147.2 |
| synonyms | ['Mukurozioside IIb', '103001-34-9', '(2S,3R,4R,5R,6S)-2-((2R,3R,4S,5R,6R)-5-hydroxy-2-((2E,6E,10E)-12-((2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)oxan-2-yl)oxy-3,7,11-trimethyldodeca-2,6,10-trienoxy)-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl)oxy-6-methyloxane-3,4,5-triol', '(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2E,6E,10E)-12-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol', 'RefChem:159999'] |
From Pubchem