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 208.7
[M+Na]+ 463.39104 214.1
[M-H]- 439.39454 212.2
[M+NH4]+ 458.43564 233.1
[M+K]+ 479.36498 207.7
[M+H-H2O]+ 423.39908 196.4
[M+HCOO]- 485.40002 209.4
[M+CH3COO]- 499.41567 214.5
[M+Na-2H]- 461.37649 208.3
[M]+ 440.40127 202.1
[M]- 440.40237 202.1
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.