Cas no 86438-29-1 (β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]- (9CI))
![β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]- (9CI) structure](https://ossimg.kuujia.com/scimg/86500/86438-29-1x500.png)
86438-29-1 structure
Product Name:β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]- (9CI)
CAS No:86438-29-1
MF:C52H82O22
MW:1059.19429922104
CID:729270
Update Time:2024-03-01
β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 4)]- (9CI)
- b-D-Glucopyranosiduronic acid, (3b)-28-(b-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-b-D-xylopyranosyl-(1®
- β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]- (9CI)
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- Inchi： 1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)32(58)26(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-39(72-43-35(61)31(57)25(55)21-68-43)37(63)38(40(73-45)41(64)65)71-42-34(60)30(56)24(54)20-67-42/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)
- InChI Key： NUVWUBBBRAWZBE-UHFFFAOYSA-N
- SMILES： CC1(CC2C(C(OC3C(O)C(O)C(O)C(CO)O3)=O)(CCC3(C4(C(C5(C(CC4)C(C)(C)C(OC4C(OC6C(O)C(O)C(O)CO6)C(O)C(OC6C(O)C(O)C(O)CO6)C(C(=O)O)O4)CC5)C)CC=C32)C)C)CC1)C
Computed Properties
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 74
- XLogP3: 4.085
β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]- (9CI) Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
86438-29-1 (β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]- (9CI)) Related Products
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