CID 15560539

Panicol

Structural Information

Molecular Formula
C31H52O
SMILES
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)OC)C)C)C)C)C
InChI
InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3
InChIKey
YZBNXQLCEJJXSC-UHFFFAOYSA-N
Compound name
3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

440.40182 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.40910 213.9
[M+Na]+ 463.39104 222.9
[M+NH4]+ 458.43564 231.8
[M+K]+ 479.36498 203.3
[M-H]- 439.39454 218.4
[M+Na-2H]- 461.37649 219.8
[M]+ 440.40127 217.6
[M]- 440.40237 217.6
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