Cas no 915234-89-8 (2-O-decanoyl-3-O-isobutyryl-3'-O-2-methylbutanoylsucrose)
915234-89-8 structure
Product Name:2-O-decanoyl-3-O-isobutyryl-3'-O-2-methylbutanoylsucrose
CAS No:915234-89-8
MF:C31H54O14
MW:650.752071857452
CID:2024122
Update Time:2025-03-10
2-O-decanoyl-3-O-isobutyryl-3'-O-2-methylbutanoylsucrose Chemical and Physical Properties
Names and Identifiers
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- 2-O-decanoyl-3-O-isobutyryl-3'-O-2-methylbutanoylsucrose
- nicandrose E
- (+)-Nicandrose E
- α-D-Glucopyranoside, 3-O-(2-methyl-1-oxobutyl)-β-D-fructofuranosyl, 2-decanoate 3-(2-methylpropanoate)
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- Inchi: 1S/C31H54O14/c1-6-8-9-10-11-12-13-14-22(35)41-26-25(42-28(38)18(3)4)23(36)20(15-32)40-30(26)45-31(17-34)27(24(37)21(16-33)44-31)43-29(39)19(5)7-2/h18-21,23-27,30,32-34,36-37H,6-17H2,1-5H3
- InChI Key: JBOQGWGVWAGTCW-UHFFFAOYSA-N
- SMILES: CCCCCCCCCC(OC1C(OC(C(C)C)=O)C(O)C(CO)OC1OC1(C(OC(C(CC)C)=O)C(O)C(CO)O1)CO)=O
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 45
- XLogP3: 3.124
Experimental Properties
- Density: 1.260±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Boiling Point: 749.826±60.00 °C(Press: 760.00 Torr)(predicted)
- pka: 12.203±0.70(predicted)
2-O-decanoyl-3-O-isobutyryl-3'-O-2-methylbutanoylsucrose Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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