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 210.4
[M+Na]+ 463.39104 215.2
[M-H]- 439.39454 213.8
[M+NH4]+ 458.43564 233.2
[M+K]+ 479.36498 208.6
[M+H-H2O]+ 423.39908 198.7
[M+HCOO]- 485.40002 210.8
[M+CH3COO]- 499.41567 216.0
[M+Na-2H]- 461.37649 208.4
[M]+ 440.40127 203.4
[M]- 440.40237 203.4
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.