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Pravastatin diol lactone

CAT: 0926-JGA34593-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-JGA34593-01Size:25 mg
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CAS Number
159345-93-4
Smiles
CC1C=CC2=CC (CC (C2C1CCC3CC (CC (=O) O3) O) O) O
Molecular Formula
C18H26O5
Molecular Weight
322.4 g/mol
Controlled
No

Chemical Information

Pravastatin Diol Lactone

(4R,6R)-6-{2-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one is a member of hexahydronaphthalenes, a polyketide, a secondary alcohol, a carbobicyclic compound and a member of 2-pyranones.

CAS Number159345-93-4
PubChem CID22856154
IUPAC Name(4R,6R)-6-[2-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
Molecular FormulaC18H26O5
Molecular Weight322.4
XLogP0.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity512
SMILES
C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O)O)O
InChI
InChI=1S/C18H26O5/c1-10-2-3-11-6-12(19)8-16(21)18(11)15(10)5-4-14-7-13(20)9-17(22)23-14/h2-3,6,10,12-16,18-21H,4-5,7-9H2,1H3/t10-,12+,13+,14+,15-,16-,18-/m0/s1
InChIKey
FFTQUPQRPRHNQZ-CGDZNSRRSA-N
Chemical Structure
2D Structure
2D structure of Pravastatin Diol Lactone
CAS: 159345-93-4
CID: 22856154
Formula: C18H26O5
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass322.17802393
Monoisotopic Mass322.17802393
Topological Polar Surface Area87 Ų
Heavy Atom Count23
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count7
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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TRC-P702035-50MGPravastatin Diol Lactone
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sc-476216Pravastatin Diol Lactone Di- (tert-butyldimethylsilyl) Ether
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MBS6040415-01Pravastatin Lactone, Deuterated
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