CID 53232

Lovastatin

Structural Information

Molecular Formula
C24H36O5
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)O)C
InChI
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
InChIKey
PCZOHLXUXFIOCF-BXMDZJJMSA-N
Compound name
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

6105
References

131535
Patents

404.2563 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26358 200.6
[M+Na]+ 427.24552 202.7
[M-H]- 403.24902 205.4
[M+NH4]+ 422.29012 210.4
[M+K]+ 443.21946 200.6
[M+H-H2O]+ 387.25356 192.6
[M+HCOO]- 449.25450 209.3
[M+CH3COO]- 463.27015 227.2
[M+Na-2H]- 425.23097 194.9
[M]+ 404.25575 198.9
[M]- 404.25685 198.9
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.