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]+ 367.211496 178.1
[M+Na]+ 389.193438 187.7
[M-H]- 365.196944 181.5
[M+NH4]+ 384.238043 197.6
[M+K]+ 405.167378 183.6
[M+H-H2O]+ 349.201480 178.4
[M+HCOO]- 411.202421 180.0
[M+CH3COO]- 425.218071 186.6
[M+Na-2H]- 387.178886 181.7
[M]+ 366.20367142 179.8
[M]- 366.20476858 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.