CID 131751726

Cytochalasin p?

Structural Information

Molecular Formula
C30H41NO6
SMILES
CC1C/C=C/C2C(C(C(C3C2(C(/C=C\C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)(C)O)O
InChI
InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14-
InChIKey
AVASIWUXPVFFGK-WISUYLHISA-N
Compound name
[(3Z,9E)-16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.2934 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.30068 218.5
[M+Na]+ 534.28262 226.2
[M+NH4]+ 529.32722 225.6
[M+K]+ 550.25656 217.9
[M-H]- 510.28612 219.5
[M+Na-2H]- 532.26807 222.2
[M]+ 511.29285 219.7
[M]- 511.29395 219.7
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.