loading...| Preferred Name |
sucrose acetate isobutyrate |
|
| Synonyms |
[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_177717 |
|
| alternative term |
[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate |
|
| charge |
0 |
|
| database_cross_reference |
HMDB:HMDB0037136 CAS:126-13-6 Chemspider:29072 |
|
| formula |
C40H62O19 |
|
| has_exact_synonym |
[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:177717 |
|
| in_subset | ||
| inchi |
InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1 |
|
| inchikey |
UVGUPMLLGBCFEJ-SWTLDUCYSA-N |
|
| label |
sucrose acetate isobutyrate |
|
| mass |
846.917 |
|
| monoisotopicmass |
846.38853 |
|
| notation |
CHEBI:177717 |
|
| prefLabel |
sucrose acetate isobutyrate |
|
| smiles |
O1[C@@](O[C@H]2O[C@@H]([C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C)COC(=O)C)([C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1COC(=O)C(C)C)COC(=O)C |
|
| subClassOf |