CID 215251

7-ketolyoniol b

Structural Information

Molecular Formula
C20H30O6
SMILES
CC1(C2C(O2)C3C1(C(C(=O)C45CC(CCC4C3(C)O)C(C5)(C)O)O)O)C
InChI
InChI=1S/C20H30O6/c1-16(2)15-11(26-15)12-18(4,24)10-6-5-9-7-19(10,8-17(9,3)23)13(21)14(22)20(12,16)25/h9-12,14-15,22-25H,5-8H2,1-4H3
InChIKey
AMKGWZFHNATSPK-UHFFFAOYSA-N
Compound name
3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20422 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 170.3
[M+Na]+ 389.19344 176.6
[M+NH4]+ 384.23804 183.1
[M+K]+ 405.16738 171.9
[M-H]- 365.19694 176.7
[M+Na-2H]- 387.17889 174.4
[M]+ 366.20367 174.7
[M]- 366.20477 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.