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4a,5-Dihydro Lovastatin

CAT: 0572-TRC-D448570-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D448570-10MGSize:10 mg
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CAS Number
77517-29-4
Synonyms
Butanoic acid, 2-methyl-, (1S,3S,4aR,7S,8S,8aS)-1,2,3,4,4a,7,8,8a-octahydro-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-, 1,2,3,4,4a,7,8,8a-octahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α(R*),3α,4aα,7β,8β(2S*,4S*),8aβ]]-; (+)-Dihydromevinolin; Dihydrolovastatin; Dihydromevinolin; L 154883; MSD 883; Lovastatin RC A (USP)
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Molecular Formula
C24 H38 O5
Molecular Weight
406.56
InChI
InChI=1S/C24H38O5/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/h6-7,14-21,23,25H,5,8-13H2,1-4H3/t14-,15-,16-,17-,18+,19+,20-,21-,23-/m0/s1
Additionnal Information
IUPAC name: [(1S,3S,4aR,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dihydromevinolin

[(1S,3S,4aR,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate has been reported in Monascus purpureus with data available.

CAS Number77517-29-4
PubChem CID196514
IUPAC Name[(1S,3S,4aR,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Molecular FormulaC24H38O5
Molecular Weight406.6
XLogP5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity614
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
InChI
InChI=1S/C24H38O5/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/h6-7,14-21,23,25H,5,8-13H2,1-4H3/t14-,15-,16-,17-,18+,19+,20-,21-,23+/m0/s1
InChIKey
IFIFFBWHLKGTMO-LDIGTXGYSA-N
Chemical Structure
2D Structure
2D structure of Dihydromevinolin
CAS: 77517-29-4
CID: 196514
Formula: C24H38O5
MW: 406.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass406.27192431
Monoisotopic Mass406.27192431
Topological Polar Surface Area72.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes