CID 621521

Methoxybauerenol

Structural Information

Molecular Formula
C31H52O
SMILES
CC1CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)OC)(C)C)C)C
InChI
InChI=1S/C31H52O/c1-20-12-15-28(5)18-19-30(7)23-10-11-24-27(3,4)25(32-9)14-16-29(24,6)22(23)13-17-31(30,8)26(28)21(20)2/h10,20-22,24-26H,11-19H2,1-9H3
InChIKey
HMTYXVQACLXYEQ-UHFFFAOYSA-N
Compound name
10-methoxy-1,2,4a,6a,9,9,12a,14a-octamethyl-2,3,4,5,6,6a,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.40182 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.40910 215.9
[M+Na]+ 463.39104 225.5
[M+NH4]+ 458.43564 232.9
[M+K]+ 479.36498 207.0
[M-H]- 439.39454 220.6
[M+Na-2H]- 461.37649 220.4
[M]+ 440.40127 219.6
[M]- 440.40237 219.6
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

No patent data available for this compound.