sucrose-3-decanoyl-4-isovalerate

Chemical Formula:

C₂₇H₄₈O₁₃

Molecular Weight:

580.668 Daltons

Monoisotopic Mass:

580.3094916281 Daltons

SMILES:

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

InChI:

1S/C27H48O13/c1-4-5-6-7-8-9-10-11-19(31)37-24-22(34)26(36-18(14-29)23(24)38-20(32)12-16(2)3)40-27(15-30)25(35)21(33)17(13-28)39-27/h16-18,21-26,28-30,33-35H,4-15H2,1-3H3/t17-,18-,21-,22-,23-,24-,25+,26-,27+/m1/s1

InChIKey:

YCACPQDCMKYMTN-QUXAAEGESA-N

Databases

MetaCyc: CPD-19026

PubChem (CID): 122706528

MetaNetX: MNXM683054