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 178.1
[M+Na]+ 389.19344 187.7
[M-H]- 365.19694 181.5
[M+NH4]+ 384.23804 197.6
[M+K]+ 405.16738 183.6
[M+H-H2O]+ 349.20148 178.4
[M+HCOO]- 411.20242 180.0
[M+CH3COO]- 425.21807 186.6
[M+Na-2H]- 387.17889 181.7
[M]+ 366.20367 179.8
[M]- 366.20477 179.8
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.