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
2
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 184.3
[M+Na]+ 377.19344 186.2
[M-H]- 353.19694 182.0
[M+NH4]+ 372.23804 195.4
[M+K]+ 393.16738 184.2
[M+H-H2O]+ 337.20148 178.7
[M+HCOO]- 399.20242 192.1
[M+CH3COO]- 413.21807 210.4
[M+Na-2H]- 375.17889 178.7
[M]+ 354.20367 182.0
[M]- 354.20477 182.0
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.