Feedback

sucrose acetate isobutyrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM130936

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₀H₆₂O₁₉

charge

mass

846.38853

reference

chebi:177717

InChIKey

UVGUPMLLGBCFEJ-SWTLDUCYSA-N

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

SMILES

CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177717 chebi:177717	sucrose acetate isobutyrate [(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
hmdb:HMDB0037136	Sucrose acetate isobutyrate Isobutyric acid, hexaester with sucrose diacetate Isobutyric acid, hexaester with sucrose diacetate (8ci) SAIB SAIB 100S Saccharose acetate isobutyrate Sucrose acetate 2-methylpropanoate Sucrose acetic acid isobutyric acid Sucrose acetoisobutyrate Sucrose di(acetate) hexaisobutyrate Sucrose diacetate hexaisobutyrate, 8ci Sucrose, diacetate hexaisobutyrate [(2R,3R,4S,5S)-5-[(Acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-tris[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoic acid [(2R,3R,4S,5S)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-tris[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate sucrose acetate isobutyrate
hmdb:HMDB37136	secondary/obsolete/fantasy identifier