CID 135563661

Premutilin

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@H]1C[C@](C[C@H]([C@]2([C@H]3[C@]1(CCC3)CCC2C)C)O)(C)C=C
InChI
InChI=1S/C20H34O/c1-6-18(4)12-15(3)20-10-7-8-16(20)19(5,17(21)13-18)14(2)9-11-20/h6,14-17,21H,1,7-13H2,2-5H3/t14?,15-,16-,17+,18-,19+,20+/m0/s1
InChIKey
OPVUAGGKMBXOGV-IQWJVPKTSA-N
Compound name
(1R,2S,4S,6R,7R,8R)-4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 193.3
[M+Na]+ 313.250178 197.3
[M-H]- 289.253684 194.7
[M+NH4]+ 308.294783 203.9
[M+K]+ 329.224118 195.4
[M+H-H2O]+ 273.258220 189.3
[M+HCOO]- 335.259161 197.5
[M+CH3COO]- 349.274811 231.4
[M+Na-2H]- 311.235626 188.1
[M]+ 290.26041142 190.0
[M]- 290.26150858 190.0
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

No patent data available for this compound.