Cas no 864357-87-9 (Simvastatin Hydroxy Acid Ethyl Ester)
864357-87-9 structure
Product Name:Simvastatin Hydroxy Acid Ethyl Ester
CAS No:864357-87-9
MF:C27H44O6
MW:464.634669303894
CID:1063315
PubChem ID:71752200
Update Time:2024-12-09
Simvastatin Hydroxy Acid Ethyl Ester Chemical and Physical Properties
Names and Identifiers
-
- Simvastatin Hydroxy Acid Ethyl Ester
- ethyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
- Simvastatin Hydroxy
- Ethyl (βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoate (ACI)
- 864357-87-9
- ETHYL (3R,5R)-7-[(1S,2S,6R,8S,8AR)-8-[(2,2-DIMETHYLBUTANOYL)OXY]-2,6-DIMETHYL-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]-3,5-DIHYDROXYHEPTANOATE
- DTXSID10858392
- Ethyl (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl}-3,5-dihydroxyheptanoate
-
- Inchi： 1S/C27H44O6/c1-7-27(5,6)26(31)33-23-14-17(3)13-19-10-9-18(4)22(25(19)23)12-11-20(28)15-21(29)16-24(30)32-8-2/h9-10,13,17-18,20-23,25,28-29H,7-8,11-12,14-16H2,1-6H3/t17-,18-,20+,21+,22-,23-,25-/m0/s1
- InChI Key： VVAUQJHCHXQKFR-MLKWKJRISA-N
- SMILES： O([C@H]1C[C@@H](C)C=C2C=C[C@@H]([C@@H]([C@@H]12)CC[C@@H](O)C[C@@H](O)CC(=O)OCC)C)C(=O)C(C)(C)CC
Computed Properties
- Exact Mass: 464.31378912g/mol
- Monoisotopic Mass: 464.31378912g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 33
- Rotatable Bond Count: 13
- Complexity: 724
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 93.1?2
Simvastatin Hydroxy Acid Ethyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | S485035-2mg |
Simvastatin Hydroxy Acid Ethyl Ester |
864357-87-9 | 2mg |
$138.00 | 2023-05-17 | ||
| TRC | S485035-5mg |
Simvastatin Hydroxy Acid Ethyl Ester |
864357-87-9 | 5mg |
$184.00 | 2023-05-17 | ||
| TRC | S485035-10mg |
Simvastatin Hydroxy Acid Ethyl Ester |
864357-87-9 | 10mg |
$ 351.00 | 2023-09-06 | ||
| TRC | S485035-25mg |
Simvastatin Hydroxy Acid Ethyl Ester |
864357-87-9 | 25mg |
$833.00 | 2023-05-17 | ||
| TRC | S485035-50mg |
Simvastatin Hydroxy Acid Ethyl Ester |
864357-87-9 | 50mg |
$ 1453.00 | 2023-09-06 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-472851-5 mg |
Simvastatin Hydroxy Acid Ethyl Ester, |
864357-87-9 | 5mg |
￥2,858.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-472851-5mg |
Simvastatin Hydroxy Acid Ethyl Ester, |
864357-87-9 | 5mg |
￥2858.00 | 2023-09-05 |
Simvastatin Hydroxy Acid Ethyl Ester Related Literature
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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