Cas no 68680-67-1 (Chinovasaeure-beta-D-glucomethylosid)
68680-67-1 structure
Product Name:Chinovasaeure-beta-D-glucomethylosid
CAS No:68680-67-1
MF:C36H56O9
MW:632.824452400208
CID:1996108
PubChem ID:133556354
Update Time:2025-04-21
Chinovasaeure-beta-D-glucomethylosid Chemical and Physical Properties
Names and Identifiers
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- Chinovasaeure-beta-D-glucomethylosid
- Quinovic acid 3beta-O-beta-D-quinovopyranoside
- Quinovic acid 3β-O-β-D-quinovopyranoside
- 68680-67-1
-
- Inchi： 1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)
- InChI Key： PUOQHFWXBKTHST-UHFFFAOYSA-N
- SMILES： CC1C(C)C2C(C(=O)O)(CCC3(C4(C(C5(C(CC4)C(C)(C)C(OC4C(O)C(O)C(O)C(C)O4)CC5)C)CC=C32)C)C(=O)O)CC1
Computed Properties
- Exact Mass: 632.39243336Da
- Monoisotopic Mass: 632.39243336Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 45
- Rotatable Bond Count: 4
- Complexity: 1250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 13
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 154?2
Chinovasaeure-beta-D-glucomethylosid Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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