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(6aR, 11 aR)-3-hydroxy-9,l0-diMethoxy pterocarpan--7--O--β--D--glucoside
1. Names and Identifiers
- 1.1 Name
- (6aR, 11 aR)-3-hydroxy-9,l0-diMethoxy pterocarpan--7--O--β--D--glucoside
- 1.2 Synonyms
- (6aR,11aR)-3-Hydroxy-9,10-dimethoxypterocarpan 3-O-Β-D-glycoside; (6aR,11aR)-9,10-Dimethoxypterocarpan 3-O-beta-D-glucoside; (6aR,11aR)-9,10-Dimethoxypterocarpan 3-O-Β-D-glucoside; (6αR,11αR)-9,10-dimethoxypterocarpan-3-β-D-glucoside; 6H-Benzofuro[3,2-c][1]benzopyran, Β-D-glucopyranoside deriv.; 9,10-Dimethoxyptercarpan-3-O-β-D-glucoside; 9,10-Dimethoxypterocarpan 3-O-β-D-glucoside; 9,10-Dimethoxy-pterocarpan-3-O-Β-D-glucopyranoside; 9-O-Methylnissolin 3-O-glucoside; Astrapterocarpan glucoside; Methylnissolin-3-O-glucoside; Β-D-Glucopyranoside, 6a,11a-dihydro-9,10-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-3-yl, (6aR-cis)-;
- 1.3 CAS No.
- 94367-42-7
- 1.4 CID
- 74977390
- 1.5 Molecular Formula
- C23H26O10
- 1.6 Inchi
- InChI=1S/C23H26O10/c1-28-14-6-5-11-13-9-30-15-7-10(3-4-12(15)20(13)33-21(11)22(14)29-2)31-23-19(27)18(26)17(25)16(8-24)32-23/h3-7,13,16-20,23-27H,8-9H2,1-2H3
- 1.7 InChkey
- PCIXSTFFMHVOMF-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC
- 1.9 Isomers Smiles
- COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC
2. Properties
- 2.1 Solubility
- 几乎不溶 (0.083 g/L) (25 oC),
- 2.2 Color/Form
- Powder
- 2.3 pKa
- 12.77±0.70(Predicted)
- 2.4 Water Solubility
- Practically insoluble (0.083 g/L) (25 oC)
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Computed Properties
- Molecular Weight：462.4g/mol
- Molecular Formula：C23H26O10
- Compound Is Canonicalized：True
- Exact Mass：0.8
- XLogP3-AA：462.15259702
- Monoisotopic Mass：462.15259702
- Complexity：665
- Rotatable Bond Count：5
- Hydrogen Bond Donor Count：4
- Hydrogen Bond Acceptor Count：10
- Topological Polar Surface Area：136
- Heavy Atom Count：：33
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：7
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADceB4PAAAAAAAAAAAAAAAAAAAASAAAAA0aIEAAAAAAEiRQAAAGgAACAAADRSwmAMyDoAABgCAAiBCAAACCAAgIAAIiAAGiIgdNyKEMRqieCKlwBUPqAfA4PwOoAABCAAIQABAAAIQABCAAAAAAAAAAA==
5.Other Information
- Uses
- Methylnissolin-3-O-glucoside is a flavonoid from Radix Astragali (Astragalus membranaceus) which exhibits inhibitory effects on pro-inflammatory cytokine production in bone marrow.
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Update Time:2024/06/17
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Update Time:2021/04/26
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Update Time:2019/02/23
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Update Time:2019/02/23
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Update Time:2019/02/23
7. Realated Product Infomation
EN
