CID 64727

Lovastatin acid

Structural Information

Molecular Formula
C24H38O6
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](C[C@H](CC(=O)O)O)O)C
InChI
InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
InChIKey
QLJODMDSTUBWDW-BXMDZJJMSA-N
Compound name
(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

578
Patents

422.26685 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.27413 204.2
[M+Na]+ 445.25607 204.4
[M-H]- 421.25957 202.3
[M+NH4]+ 440.30067 213.0
[M+K]+ 461.23001 202.2
[M+H-H2O]+ 405.26411 197.8
[M+HCOO]- 467.26505 211.0
[M+CH3COO]- 481.28070 227.4
[M+Na-2H]- 443.24152 195.5
[M]+ 422.26630 204.1
[M]- 422.26740 204.1
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.