CID 6440871

Lankacidin c

Structural Information

Molecular Formula
C25H33NO7
SMILES
C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O
InChI
InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1
InChIKey
ATDILMLBOZKFGI-JUTMVFGESA-N
Compound name
N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

289
Patents

459.2257 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.23298 207.8
[M+Na]+ 482.21492 212.4
[M+NH4]+ 477.25952 212.6
[M+K]+ 498.18886 206.0
[M-H]- 458.21842 199.3
[M+Na-2H]- 480.20037 194.0
[M]+ 459.22515 205.3
[M]- 459.22625 205.3
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

patents stripe