CID 6445147

Lankacidinol 2',8,14-triacetate

Structural Information

Molecular Formula
C31H41NO10
SMILES
C[C@@H]1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/C([C@@](C1=O)(C(=O)O2)C)NC(=O)[C@@H](C)OC(=O)C)\C)OC(=O)C)\C)OC(=O)C
InChI
InChI=1S/C31H41NO10/c1-17-9-12-24(40-22(6)34)13-11-18(2)15-27(32-29(37)20(4)39-21(5)33)31(8)28(36)19(3)26(42-30(31)38)16-25(14-10-17)41-23(7)35/h9-11,13-15,19-20,24-27H,12,16H2,1-8H3,(H,32,37)/b13-11-,14-10-,17-9-,18-15-/t19-,20-,24+,25-,26-,27?,31+/m1/s1
InChIKey
RMCSQXVZXRVVLQ-FAWXZBCKSA-N
Compound name
[(1S,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-13-acetyloxy-2-[[(2R)-2-acetyloxypropanoyl]amino]-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

587.2731 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.28038 229.6
[M+Na]+ 610.26232 231.6
[M+NH4]+ 605.30692 231.7
[M+K]+ 626.23626 227.4
[M-H]- 586.26582 219.5
[M+Na-2H]- 608.24777 214.3
[M]+ 587.27255 226.0
[M]- 587.27365 226.0
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.