CID 131751856

Camelledionol

Structural Information

Molecular Formula
C29H44O3
SMILES
CC1(CCC2(C(C1)C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O)C
InChI
InChI=1S/C29H44O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-21,32H,9-17H2,1-7H3
InChIKey
MIXYQNXUKFPGRJ-UHFFFAOYSA-N
Compound name
8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,9,10,12,12a,14,14a-dodecahydropicene-3,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

440.32904 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.33632 208.0
[M+Na]+ 463.31826 216.4
[M+NH4]+ 458.36286 224.3
[M+K]+ 479.29220 198.4
[M-H]- 439.32176 210.7
[M+Na-2H]- 461.30371 213.3
[M]+ 440.32849 210.9
[M]- 440.32959 210.9
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