CID 75144801

Cinncassiol e

Structural Information

Molecular Formula
C20H30O8
SMILES
CC1CCC2(C1(C3(C4(C5(C(O3)(C6C2(C4(CC6(O5)C(C)C)O)C)O)C)O)O)O)O
InChI
InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3
InChIKey
KFWCNRCQYZWAFT-UHFFFAOYSA-N
Compound name
3,7,15-trimethyl-13-propan-2-yl-14,16-dioxahexacyclo[7.6.1.02,13.03,11.04,8.010,15]hexadecane-1,4,8,9,10,11-hexol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.19406 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20134 170.9
[M+Na]+ 421.18328 170.8
[M+NH4]+ 416.22788 185.8
[M+K]+ 437.15722 164.3
[M-H]- 397.18678 167.6
[M+Na-2H]- 419.16873 173.2
[M]+ 398.19351 170.7
[M]- 398.19461 170.7
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.