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Lovastatin
CAS: 75330-75-5 | C24H36O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75330-75-5
Molecular Formula:
C24H36O5
Molecular Mass:
404.55 g/mol
Names and Synonyms:
Lovastatin
Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-
Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α(R*),3α,7β,8β(2S*,4S*),8aβ]]-
Mevinolin
MSD 803
Monacolin K
Antibiotic MB 530B
MK 803
Monacolin K lactone
Lovastatin
Mevacor
L 154803
(+)-Mevinolin
6α-Methylcompactin
Sivlor
Mevlor
Lovalip
Mevinacor
Altocor
Lovastatin lactone
Lostatin
Lestric
Lovacard
Lovex
Altoprev
NSC 633781
Identifiers:
SMILES:
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
InChI:
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
Key Properties
Melting Point
174 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 404.55 g/mol | CAS Common Chemistry |
| 404.54700000000025 g/mol | RDKit | |
| 404.2562742519999 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CCC2C(C=CC3=CC(C)CC(OC(=O)C(C)CC)C32)C)CC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PCZOHLXUXFIOCF-BXMDZJJMSA-N | CAS Common Chemistry |
| Melting Point | 174 °C | CAS Common Chemistry |
| Name | Lovastatin | CAS Common Chemistry |
| Heavy Atom Count | 29 | 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 | 4.195500000000004 | RDKit |
| Molar Refractivity | 110.83780000000007 | RDKit |
