CID 169502247

5,6-epoxy-3-alpha-isopravastatin

Structural Information

Molecular Formula
C23H36O8
SMILES
CC[C@H](C)C(=O)O[C@H]1CC2C(O2)C3[C@H]1[C@H]([C@H](C(=C3)O)C)CC[C@H](C[C@H](CC(=O)O)O)O
InChI
InChI=1S/C23H36O8/c1-4-11(2)23(29)31-18-10-19-22(30-19)16-9-17(26)12(3)15(21(16)18)6-5-13(24)7-14(25)8-20(27)28/h9,11-16,18-19,21-22,24-26H,4-8,10H2,1-3H3,(H,27,28)/t11-,12+,13+,14+,15-,16?,18-,19?,21+,22?/m0/s1
InChIKey
YOXYMSHIZSPSMG-SXVHTQIHSA-N
Compound name
(3R,5R)-7-[(3S,3aR,4R,5R)-6-hydroxy-5-methyl-3-[(2S)-2-methylbutanoyl]oxy-1a,2,3,3a,4,5,7a,7b-octahydronaphtho[1,2-b]oxiren-4-yl]-3,5-dihydroxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.24103 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.24831 198.8
[M+Na]+ 463.23025 205.0
[M+NH4]+ 458.27485 202.2
[M+K]+ 479.20419 205.8
[M-H]- 439.23375 203.6
[M+Na-2H]- 461.21570 195.8
[M]+ 440.24048 201.5
[M]- 440.24158 201.5
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.