CID 135993864

Lankacidinol

Structural Information

Molecular Formula
C25H35NO7
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@H](C)O)/C)O)/C)O
InChI
InChI=1S/C25H35NO7/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/h6-8,10-12,16-21,27-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,17+,18+,19-,20+,21-,25+/m1/s1
InChIKey
FUDDPCATVZFGCZ-GVFOZAGLSA-N
Compound name
(2S)-N-[(1S,2R,3E,5E,7S,9E,11E,13S,15S,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-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.24136 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.24864 208.5
[M+Na]+ 484.23058 212.6
[M+NH4]+ 479.27518 213.2
[M+K]+ 500.20452 206.5
[M-H]- 460.23408 199.8
[M+Na-2H]- 482.21603 194.2
[M]+ 461.24081 205.8
[M]- 461.24191 205.8
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.