Cas no 35988-42-2 (Carboxyatractylate)
Carboxyatractylate structure
Product Name:Carboxyatractylate
CAS No:35988-42-2
MF:C31H44K2O18S2
MW:846.996870994568
CID:306740
PubChem ID:108174
Update Time:2024-10-30
Carboxyatractylate Chemical and Physical Properties
Names and Identifiers
-
- Kaur-16-ene-18,19-dioicacid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-a-D-glucopyranosyl]oxy]-, (2b,15a)-
- LogP
- C-ATR
- CID 132285233
- Carboxyatractylate
- Carboxyatractyloside Potassium Salt
- Carboxyatractyloside (potassium salt)
- 15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
- 15-hydroxy-2-{[2-o-(3-methylbutanoyl)-3,4-di-o-sulfohexopyranosyl]oxy}kaur-16-ene-18,19-dioic acid
- 77228-71-8
- DTXSID30865669
- 35988-42-2
- Kaur-16-ene-18,19-dioic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-alpha-D-glucopyranosyl)oxy)-, (2beta,15alpha)-
- (1R,7S,9R,10S,13S,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecane-5,5-dicarboxylic acid
-
- Inchi： 1S/C31H46O18S2.2K/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38;;/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26+,29+,30-;;/m1../s1
- InChI Key： FPJGZZYAZUKPAD-AOBWAYCDSA-L
- SMILES： [K+].[K+].S(=O)(=O)(O)O[C@H]1[C@@H]([C@@H](CO)O[C@@H]([C@@H]1OC(CC(C)C)=O)O[C@@H]1CC(C(=O)[O-])(C(=O)[O-])[C@H]2CC[C@]34[C@H](C(=C)[C@H](CC[C@H]3[C@]2(C)C1)C4)O)OS(=O)(=O)O
Computed Properties
- Exact Mass: 770.21255696 g/mol
- Monoisotopic Mass: 770.21255696 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 51
- Rotatable Bond Count: 13
- Complexity: 1600
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 12
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 304
- Molecular Weight: 770.8
Experimental Properties
- Density: 1.58
- Refractive Index: 1.62
Carboxyatractylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci70524-1mg |
Carboxyatractyloside (potassium salt) |
35988-42-2 | 98% | 1mg |
￥959.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci70524-5mg |
Carboxyatractyloside (potassium salt) |
35988-42-2 | 98% | 5mg |
￥3919.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci70524-500ug |
Carboxyatractyloside (potassium salt) |
35988-42-2 | 98% | 500ug |
￥544.00 | 2022-04-26 | |
| 1PlusChem | 1P00C66Z-1mg |
C-ATR |
35988-42-2 | ≥95% | 1mg |
$76.00 | 2025-02-26 | |
| 1PlusChem | 1P00C66Z-5mg |
C-ATR |
35988-42-2 | ≥95% | 5mg |
$316.00 | 2025-02-26 | |
| A2B Chem LLC | AF67099-1mg |
C-ATR |
35988-42-2 | ≥95% | 1mg |
$81.00 | 2024-04-20 | |
| A2B Chem LLC | AF67099-5mg |
C-ATR |
35988-42-2 | ≥95% | 5mg |
$334.00 | 2024-04-20 |
Carboxyatractylate Related Literature
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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