Cas no 78415-48-2 (1H-Inden-1-one, 4-(b-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-)
78415-48-2 structure
Product Name:1H-Inden-1-one, 4-(b-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-
CAS No:78415-48-2
MF:C21H30O8
MW:410.458107471466
CID:567992
PubChem ID:124740
Update Time:2025-04-19
1H-Inden-1-one, 4-(b-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Inden-1-one, 4-(b-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-
- 1H-Inden-1-one, 4-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-
- onitinoside
- 6-(2-Hydroxyethyl)-2,2,5,7-tetramethyl-1-oxo-2,3-dihydro-1H-inden-4-yl hexopyranoside
- 78415-48-2
- DTXSID90999752
- 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one
-
- Inchi： 1S/C21H30O8/c1-9-11(5-6-22)10(2)18(12-7-21(3,4)19(27)14(9)12)29-20-17(26)16(25)15(24)13(8-23)28-20/h13,15-17,20,22-26H,5-8H2,1-4H3/t13-,15-,16+,17-,20+/m1/s1
- InChI Key： CLZGEWQFWIBQEP-RGCXKDKSSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C1=C(C)C(CCO)=C(C)C2C(C(C)(C)CC=21)=O
Computed Properties
- Exact Mass: 410.194
- Monoisotopic Mass: 410.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 595
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 137?2
Experimental Properties
- Density: 1.352
- Boiling Point: 685.4°C at 760 mmHg
- Flash Point: 239.4°C
- Refractive Index: 1.603
1H-Inden-1-one, 4-(b-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl- Related Literature
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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