CID 68178378

6'beta-hydroxylovastatin

Structural Information

Molecular Formula
C24H36O6
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)O
InChI
InChI=1S/C24H36O6/c1-5-14(2)23(27)30-20-13-24(4,28)12-16-7-6-15(3)19(22(16)20)9-8-18-10-17(25)11-21(26)29-18/h6-7,12,14-15,17-20,22,25,28H,5,8-11,13H2,1-4H3/t14-,15-,17+,18+,19-,20-,22-,24+/m0/s1
InChIKey
FUCXPWLYQFERRA-QOPMPQMQSA-N
Compound name
[(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

420.2512 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25848 202.4
[M+Na]+ 443.24042 205.0
[M-H]- 419.24392 206.1
[M+NH4]+ 438.28502 212.9
[M+K]+ 459.21436 203.3
[M+H-H2O]+ 403.24846 195.4
[M+HCOO]- 465.24940 209.7
[M+CH3COO]- 479.26505 226.9
[M+Na-2H]- 441.22587 198.0
[M]+ 420.25065 200.9
[M]- 420.25175 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe