sucrose-4-isobutanoate

Chemical Formula:

C₁₆H₂₈O₁₂

Molecular Weight:

412.39 Daltons

Monoisotopic Mass:

412.158076364 Daltons

SMILES:

CC(C(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO))=O)C

InChI:

1S/C16H28O12/c1-6(2)14(24)26-12-8(4-18)25-15(11(22)10(12)21)28-16(5-19)13(23)9(20)7(3-17)27-16/h6-13,15,17-23H,3-5H2,1-2H3/t7-,8-,9-,10-,11-,12-,13+,15-,16+/m1/s1

InChIKey:

XDCGLMGQYMZCGQ-JXBHDTGASA-N

Synonyms

sucrose mono-4-isobutanoate

Databases

MetaCyc: CPD-19017

PubChem (CID): 122706080

MetaNetX: MNXM683062