CID 198703

Neomajucin

Structural Information

Molecular Formula
C15H20O7
SMILES
C[C@@H]1CC[C@]2(C13C[C@@H]([C@@]4([C@]2(COC4=O)C)O)OC(=O)[C@@H]3O)O
InChI
InChI=1S/C15H20O7/c1-7-3-4-14(19)12(2)6-21-11(18)15(12,20)8-5-13(7,14)9(16)10(17)22-8/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8+,9+,12+,13?,14+,15-/m1/s1
InChIKey
BKIWFOHCRIPCJO-OBTFVUSVSA-N
Compound name
(2R,5R,6S,10R,11S,14R)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecane-9,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1209 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12818 163.7
[M+Na]+ 335.11012 169.3
[M+NH4]+ 330.15472 175.3
[M+K]+ 351.08406 164.0
[M-H]- 311.11362 163.7
[M+Na-2H]- 333.09557 164.2
[M]+ 312.12035 164.6
[M]- 312.12145 164.6
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.