sucrose 3-lauroyl-4-isovaleroyl-3'-acetate

Chemical Formula:

C₃₁H₅₄O₁₄

Molecular Weight:

650.759 Daltons

Monoisotopic Mass:

650.3513564428 Daltons

SMILES:

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

InChI:

1S/C31H54O14/c1-5-6-7-8-9-10-11-12-13-14-23(36)42-28-26(39)30(41-22(17-33)27(28)43-24(37)15-19(2)3)45-31(18-34)29(40-20(4)35)25(38)21(16-32)44-31/h19,21-22,25-30,32-34,38-39H,5-18H2,1-4H3/t21-,22-,25-,26-,27-,28-,29+,30-,31+/m1/s1

InChIKey:

ZAOQZIXHXYWKEC-WQWWKYESSA-N

Databases

MetaCyc: CPD-19130

PubChem (CID): 122706034

MetaNetX: MNXM683039