CID 156587246

Deoxyconidiogenol

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@H]1CC[C@H]([C@]2([C@@]13C[C@]4(CCC([C@H]4[C@@H]3CC2)(C)C)C)C)O
InChI
InChI=1S/C20H34O/c1-13-6-7-15(21)19(5)9-8-14-16-17(2,3)10-11-18(16,4)12-20(13,14)19/h13-16,21H,6-12H2,1-5H3/t13-,14-,15+,16+,18+,19-,20-/m0/s1
InChIKey
RRJWCNIOKHDFRX-AFJLWXLSSA-N
Compound name
(1S,2S,5R,6R,9S,10R,14R)-2,6,11,11,14-pentamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 174.6
[M+Na]+ 313.250178 182.5
[M-H]- 289.253684 179.8
[M+NH4]+ 308.294783 205.5
[M+K]+ 329.224118 175.9
[M+H-H2O]+ 273.258220 171.5
[M+HCOO]- 335.259161 187.2
[M+CH3COO]- 349.274811 185.5
[M+Na-2H]- 311.235626 173.0
[M]+ 290.26041142 170.9
[M]- 290.26150858 170.9
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

No patent data available for this compound.