Cas no 915234-91-2 (2-O-decanoyl-3-O-isobutyryl-1',3'-di-O-2-methylbutanoylsucrose)
915234-91-2 structure
Product Name:2-O-decanoyl-3-O-isobutyryl-1',3'-di-O-2-methylbutanoylsucrose
CAS No:915234-91-2
MF:C36H62O15
MW:734.868493556976
CID:2059288
Update Time:2025-04-21
2-O-decanoyl-3-O-isobutyryl-1',3'-di-O-2-methylbutanoylsucrose Chemical and Physical Properties
Names and Identifiers
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- 2-O-decanoyl-3-O-isobutyryl-1',3'-di-O-2-methylbutanoylsucrose
- nicandrose A
- (+)-Nicandrose A
-
- Inchi： 1S/C36H62O15/c1-8-11-12-13-14-15-16-17-26(39)47-30-29(48-32(42)21(4)5)27(40)24(18-37)46-35(30)51-36(20-45-33(43)22(6)9-2)31(28(41)25(19-38)50-36)49-34(44)23(7)10-3/h21-25,27-31,35,37-38,40-41H,8-20H2,1-7H3
- InChI Key： YFQNZOWYPJHOIM-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)COC(C(CC)C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 51
- XLogP3: 4.979
2-O-decanoyl-3-O-isobutyryl-1',3'-di-O-2-methylbutanoylsucrose Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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