CID 132450

Silabolin

Structural Information

Molecular Formula
C22H36O2Si
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O[Si](C)(C)C)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C22H36O2Si/c1-21-12-10-18-17-9-7-16(23)14-15(17)6-8-19(18)20(21)11-13-22(21,2)24-25(3,4)5/h14,17-20H,6-13H2,1-5H3/t17-,18+,19+,20-,21-,22-/m0/s1
InChIKey
QIUQOXIBUBXJBO-ZCPXKWAGSA-N
Compound name
(8R,9S,10R,13S,14S,17S)-13,17-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

139
Patents

360.24844 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.25572 189.0
[M+Na]+ 383.23766 197.6
[M+NH4]+ 378.28226 201.3
[M+K]+ 399.21160 188.2
[M-H]- 359.24116 191.3
[M+Na-2H]- 381.22311 191.3
[M]+ 360.24789 191.2
[M]- 360.24899 191.2
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