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Acetyllovastatin

CAT: 0607-BA1748-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1748-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81189-92-6
Form
A solid
Molecular Formula
C26H38O6
Molecular Weight
446.58
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Acetyllovastatin
CAS Number81189-92-6
PubChem CID90477402
IUPAC Name[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Molecular FormulaC26H38O6
Molecular Weight446.6
XLogP4.8
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity768
SMILES
CC[C@H](C)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)OC(=O)C)C
InChI
InChI=1S/C26H38O6/c1-6-16(3)26(29)32-23-12-15(2)11-19-8-7-17(4)22(25(19)23)10-9-20-13-21(30-18(5)27)14-24(28)31-20/h7-8,11,15-17,20-23,25H,6,9-10,12-14H2,1-5H3/t15-,16-,17-,20+,21+,22-,23-,25-/m0/s1
InChIKey
OYNSFDWALRRTFU-QQVNEASTSA-N
Chemical Structure
2D Structure
2D structure of Acetyllovastatin
CAS: 81189-92-6
CID: 90477402
Formula: C26H38O6
MW: 446.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.6
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass446.26683893
Monoisotopic Mass446.26683893
Topological Polar Surface Area78.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5752659Acetyllovastatin
A19111-5Acetyllovastatin 5mg
A19111-100Acetyllovastatin 100mg
A19111-10Acetyllovastatin 10mg
A19111-50Acetyllovastatin 50mg
A19111-2Acetyllovastatin 2mg

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