CID 3086559

Majucin

Structural Information

Molecular Formula
C15H20O8
SMILES
C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@@]4([C@]2(COC4=O)C)O)OC(=O)[C@@H]3O)O)O
InChI
InChI=1S/C15H20O8/c1-6-3-7(16)15(21)12(2)5-22-11(19)14(12,20)8-4-13(6,15)9(17)10(18)23-8/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12-,13+,14-,15+/m1/s1
InChIKey
VXDVFPLMCHUTNP-KXGILDKWSA-N
Compound name
(1S,2R,4R,5R,6S,10R,11R,14R)-4,5,10,14-tetrahydroxy-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

1
References

0
Patents

328.1158 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12308 165.1
[M+Na]+ 351.10502 170.1
[M+NH4]+ 346.14962 175.8
[M+K]+ 367.07896 165.9
[M-H]- 327.10852 164.2
[M+Na-2H]- 349.09047 164.8
[M]+ 328.11525 165.7
[M]- 328.11635 165.7
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.