CID 11648385

Cytochalasin z9

Structural Information

Molecular Formula
C28H35NO5
SMILES
C[C@H]1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@]2(C(=O)N[C@H]3CC4=CC=CC=C4)OC(=O)/C=C/[C@@](C1)(C)O)C)C)O
InChI
InChI=1S/C28H35NO5/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)34-23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-22,24-25,31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,21-,22-,24-,25+,27+,28+/m0/s1
InChIKey
FMVOQLPSYHHBLW-GTCNGBCISA-N
Compound name
(1S,4E,6S,8S,10E,12S,13S,16S,17S)-17-benzyl-6,13-dihydroxy-6,8,14,15-tetramethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,14-triene-3,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

465.25153 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.25881 212.9
[M+Na]+ 488.24075 219.4
[M-H]- 464.24425 215.6
[M+NH4]+ 483.28535 221.6
[M+K]+ 504.21469 215.0
[M+H-H2O]+ 448.24879 208.9
[M+HCOO]- 510.24973 220.1
[M+CH3COO]- 524.26538 218.8
[M+Na-2H]- 486.22620 208.7
[M]+ 465.25098 207.9
[M]- 465.25208 207.9
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

No patent data available for this compound.