CID 6445923

Lankacidinol 8,14-diacetate

Structural Information

Molecular Formula
C29H39NO9
SMILES
CC1C2CC(/C=C\C(=C/CC(/C=C\C(=C/C(C(C1=O)(C(=O)O2)C)NC(=O)C(C)O)\C)OC(=O)C)\C)OC(=O)C
InChI
InChI=1S/C29H39NO9/c1-16-8-11-22(37-20(5)32)12-10-17(2)14-25(30-27(35)19(4)31)29(7)26(34)18(3)24(39-28(29)36)15-23(13-9-16)38-21(6)33/h8-10,12-14,18-19,22-25,31H,11,15H2,1-7H3,(H,30,35)/b12-10-,13-9-,16-8-,17-14-
InChIKey
UIMHWKWOAXIMNL-SPTYDRLTSA-N
Compound name
[(3Z,5Z,9Z,11Z)-13-acetyloxy-2-(2-hydroxypropanoylamino)-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.2625 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.26978 223.3
[M+Na]+ 568.25172 226.1
[M+NH4]+ 563.29632 226.3
[M+K]+ 584.22566 221.2
[M-H]- 544.25522 213.7
[M+Na-2H]- 566.23717 208.3
[M]+ 545.26195 220.1
[M]- 545.26305 220.1
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.