CID 21672263

Cytochalasin f

Structural Information

Molecular Formula
C29H37NO5
SMILES
C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@H]4[C@](O4)([C@H]([C@H]2[C@@H](NC3=O)CC5=CC=CC=C5)C)C)O
InChI
InChI=1S/C29H37NO5/c1-18-9-7-13-21(31)15-16-24(32)34-29-22(14-8-10-18)26-28(3,35-26)19(2)25(29)23(30-27(29)33)17-20-11-5-4-6-12-20/h4-6,8,11-12,14-16,18-19,21-23,25-26,31H,7,9-10,13,17H2,1-3H3,(H,30,33)/b14-8+,16-15+/t18-,19+,21-,22+,23+,25+,26+,28-,29-/m1/s1
InChIKey
CXWYFIYZAZBQGQ-QJMMVEIUSA-N
Compound name
(1S,4E,6R,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

234
Patents

479.26718 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.27446 208.7
[M+Na]+ 502.25640 215.2
[M-H]- 478.25990 214.0
[M+NH4]+ 497.30100 212.2
[M+K]+ 518.23034 213.9
[M+H-H2O]+ 462.26444 206.1
[M+HCOO]- 524.26538 212.9
[M+CH3COO]- 538.28103 214.3
[M+Na-2H]- 500.24185 206.0
[M]+ 479.26663 206.4
[M]- 479.26773 206.4
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.