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]+ 291.26824 193.3
[M+Na]+ 313.25018 197.3
[M-H]- 289.25368 194.7
[M+NH4]+ 308.29478 203.9
[M+K]+ 329.22412 195.4
[M+H-H2O]+ 273.25822 189.3
[M+HCOO]- 335.25916 197.5
[M+CH3COO]- 349.27481 231.4
[M+Na-2H]- 311.23563 188.1
[M]+ 290.26041 190.0
[M]- 290.26151 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.