Cas no 111514-50-2 (β-D-Glucopyranoside, 6-[[[1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-yl]carbonyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl (9CI))
![β-D-Glucopyranoside, 6-[[[1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-yl]carbonyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl (9CI) structure](https://ossimg.kuujia.com/scimg/112000/111514-50-2x500.png)
111514-50-2 structure
Product Name:β-D-Glucopyranoside, 6-[[[1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-yl]carbonyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl (9CI)
CAS No:111514-50-2
MF:C31H42O18
MW:702.654391765594
CID:1198264
Update Time:2024-03-01
β-D-Glucopyranoside, 6-[[[1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-yl]carbonyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl (9CI) Chemical and Physical Properties
Names and Identifiers
-
- â
- -Dglucopyranosyloxy)- 1,4a,5,6,7,7a-hexahydro-7- methylenecyclopenta[c]pyran-4-yl]carbonyl]- oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl) oxireno[4,5]cycl
- -Dglucopyranosyloxy)- 1,4a,5,6,7,7a-hexahydro-7- methylenecyclopenta[c]pyran-4-yl]carbonyl]- oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl) oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
- β-D-Glucopyranoside, 6-[[[1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-yl]carbonyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl (9CI)
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- Inchi： 1S/C31H42O18/c1-10-2-3-11-13(8-43-27(16(10)11)47-29-22(39)20(37)18(35)14(6-32)44-29)26(41)46-24-12-4-5-42-28(17(12)31(9-34)25(24)49-31)48-30-23(40)21(38)19(36)15(7-33)45-30/h4-5,8,11-12,14-25,27-30,32-40H,1-3,6-7,9H2
- InChI Key： DHZDTIROSIGKIG-UHFFFAOYSA-N
- SMILES： OCC1C(O)C(O)C(O)C(OC2C3C(CCC3=C)C(C(OC3C4C=COC(C4C4(C3O4)CO)OC3C(O)C(O)C(O)C(CO)O3)=O)=CO2)O1
Computed Properties
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 49
- XLogP3: -2.558
β-D-Glucopyranoside, 6-[[[1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-yl]carbonyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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