CID 131751875

3beta-methoxy-7-multiflorene

Structural Information

Molecular Formula
C31H52O
SMILES
CC1(CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1)C)C)OC)(C)C)C)C)C
InChI
InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)22-10-11-23-27(3,4)25(32-9)13-14-29(23,6)21(22)12-15-31(30,8)24(28)20-26/h10,21,23-25H,11-20H2,1-9H3
InChIKey
IWHPMBHSBARBOW-UHFFFAOYSA-N
Compound name
3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.40182 Da
Monoisotopic Mass

9.7
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

No patent data available for this compound.