Back to Search
Molecule
Mevastatin
CAS: 73573-88-3 · C23H34O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 73573-88-3
- Molecular Formula
- C23H34O5
- Molecular Mass
- 390.52 g/mol
Identifiers
CAS Registry Number
73573-88-3
SMILES
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
InChI Key
AJLFOPYRIVGYMJ-INTXDZFKSA-N
InChI
InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
Names and Synonyms
- Mevastatin Synonym
- Butanoic acid, 2-methyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)- Synonym
- Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α(R*),7β,8β(2S*,4S*),8aβ]]- Synonym
- Compactin (Penicillium) Synonym
- ML 236B Synonym
- CS 500 Synonym
- (+)-Compactin Synonym
- ML 236B lactone Synonym
- Antibiotic ML 236B Synonym
- Compactin Synonym
- Mevastatin Synonym
- CS 500 (antibiotic) Synonym
- L 637312 Synonym
- Statin I Synonym
- NSC 281245 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 390.52 g/mol | CAS Common Chemistry |
| 390.52000000000015 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CCC2C(C=CC3=CCCC(OC(=O)C(C)CC)C32)C)CC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AJLFOPYRIVGYMJ-INTXDZFKSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | Mevastatin | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.83 Ų | RDKit |
| LogP | 3.949500000000003 | RDKit |
| 3.9495 | RDKit | |
| Molar Refractivity | 106.29080000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7391 | RDKit |
| 0.74 | chempirical lib | |
| Exact Mass | 390.2406241879999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 390.52 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C23H34O5.
