CID 169502137

3'(s)-hydroxy-pravastatin-tetranor

Structural Information

Molecular Formula
C19H30O6
SMILES
C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CCC(O)O)OC(=O)[C@@H](C)C(C)O)O
InChI
InChI=1S/C19H30O6/c1-10-4-5-13-8-14(21)9-16(25-19(24)11(2)12(3)20)18(13)15(10)6-7-17(22)23/h4-5,8,10-12,14-18,20-23H,6-7,9H2,1-3H3/t10-,11-,12?,14+,15-,16-,18-/m0/s1
InChIKey
STDLGCJBEGOGQS-KXRDOHBWSA-N
Compound name
[(1S,3S,7S,8S,8aR)-8-(3,3-dihydroxypropyl)-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-3-hydroxy-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.20422 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21150 183.6
[M+Na]+ 377.19344 189.6
[M+NH4]+ 372.23804 187.5
[M+K]+ 393.16738 187.9
[M-H]- 353.19694 181.1
[M+Na-2H]- 375.17889 181.2
[M]+ 354.20367 183.1
[M]- 354.20477 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.