CID 176454343

4,16-didehydroxyvinigrol

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@H]1CC[C@@H]([C@@H]2C=C(C[C@@H]3[C@H]1CC[C@H]([C@@]32O)C)C)C(C)C
InChI
InChI=1S/C20H34O/c1-12(2)16-8-6-14(4)17-9-7-15(5)20(21)18(16)10-13(3)11-19(17)20/h10,12,14-19,21H,6-9,11H2,1-5H3/t14-,15-,16-,17+,18+,19-,20+/m1/s1
InChIKey
RLYBIWBUYMIHOF-DUBPVYKHSA-N
Compound name
(1R,2R,5S,6R,9R,10R,14R)-2,6,12-trimethyl-9-propan-2-yltricyclo[8.4.0.05,14]tetradec-11-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 182.8
[M+Na]+ 313.250178 186.3
[M-H]- 289.253684 183.6
[M+NH4]+ 308.294783 191.5
[M+K]+ 329.224118 185.0
[M+H-H2O]+ 273.258220 178.6
[M+HCOO]- 335.259161 186.4
[M+CH3COO]- 349.274811 233.4
[M+Na-2H]- 311.235626 178.4
[M]+ 290.26041142 180.2
[M]- 290.26150858 180.2
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

No patent data available for this compound.