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Epi Lovastatin-d3

CAT: 0572-TRC-E588532-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E588532-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1330264-51-1
Synonyms
(2R)-2-(Methyl-d3)butanoic Acid (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; Epilovastatin-d3;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])[C@H](CC)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]12
Molecular Formula
C24H33D3O5
Molecular Weight
407.56
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Epi Lovastatin-d3
CAS Number1330264-51-1
PubChem CID71749847
IUPAC Name[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2R)-2-(trideuteriomethyl)butanoate
Molecular FormulaC24H36O5
Molecular Weight407.6
XLogP4.3
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity666
SMILES
[2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
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/i3D3
InChIKey
PCZOHLXUXFIOCF-VWOIVJJTSA-N
Chemical Structure
2D Structure
2D structure of Epi Lovastatin-d3
CAS: 1330264-51-1
CID: 71749847
Formula: C24H36O5
MW: 407.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.6
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass407.27510448
Monoisotopic Mass407.27510448
Topological Polar Surface Area72.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity666
Isotope Atom Count3
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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CS-O-06735Lovastatin-d3
HY-N0504S-01Epi lovastatin-d3
HY-143802SLovastatin hydroxy-d3 (ammonium)
CS-O-06736Lovastatin Hydroxy-d3 Ammonium
L3450-04Lovastatin-d3 Hydroxy Acid Sodium Salt (Lovastatin-d3 Sodium Salt, MB 530B-d3)
CS-T-975954a,5-Dihydro Lovastatin-d3
sc-353663Lovastatin Hydroxy Acid - Labeled d3
HY-123672S-01Lovastatin-d3 hydroxy acid (sodium)
sc-280939Lovastatin-d3 Hydroxy Acid Sodium Salt
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