Cas no 1189131-80-3 (2alpha,3beta,24-trihydroxylup-20(29)-en-28-oic acid 28-O-beta-D-glucopyranoside)
1189131-80-3 structure
Product Name:2alpha,3beta,24-trihydroxylup-20(29)-en-28-oic acid 28-O-beta-D-glucopyranoside
CAS No:1189131-80-3
MF:C36H58O10
MW:650.839732646942
CID:2018071
Update Time:2025-04-21
2alpha,3beta,24-trihydroxylup-20(29)-en-28-oic acid 28-O-beta-D-glucopyranoside Chemical and Physical Properties
Names and Identifiers
-
- 2alpha,3beta,24-trihydroxylup-20(29)-en-28-oic acid 28-O-beta-D-glucopyranoside
- rubuside I
- (-)-Rubuside I
-
- Inchi： 1S/C36H58O10/c1-18(2)19-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(19)36)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h19-30,37-43H,1,7-17H2,2-6H3
- InChI Key： OMKNNTYEAFNBIC-UHFFFAOYSA-N
- SMILES： CC(C1C2C(C(OC3C(O)C(O)C(O)C(CO)O3)=O)(CCC3(C4(C(C5(C(CC4)C(CO)(C)C(O)C(O)C5)C)CCC32)C)C)CC1)=C
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 46
- XLogP3: 6.586
2alpha,3beta,24-trihydroxylup-20(29)-en-28-oic acid 28-O-beta-D-glucopyranoside Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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