CID 15939613

Latrunculin t

Structural Information

Molecular Formula
C20H27NO5S
SMILES
C[C@@H](CC[C@@H](C/C=C/C(=O)C1=CSC(=O)N1)O)/C=C\CC/C(=C\C(=O)O)/C
InChI
InChI=1S/C20H27NO5S/c1-14(6-3-4-7-15(2)12-19(24)25)10-11-16(22)8-5-9-18(23)17-13-27-20(26)21-17/h3,5-6,9,12-14,16,22H,4,7-8,10-11H2,1-2H3,(H,21,26)(H,24,25)/b6-3-,9-5+,15-12-/t14-,16-/m1/s1
InChIKey
CFCOPHHGWOBNJM-FSDRDPJXSA-N
Compound name
(2Z,6Z,8S,11S,13E)-11-hydroxy-3,8-dimethyl-15-oxo-15-(2-oxo-3H-1,3-thiazol-4-yl)pentadeca-2,6,13-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.16098 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16826 198.0
[M+Na]+ 416.15020 199.9
[M-H]- 392.15370 194.7
[M+NH4]+ 411.19480 207.5
[M+K]+ 432.12414 193.9
[M+H-H2O]+ 376.15824 191.1
[M+HCOO]- 438.15918 205.6
[M+CH3COO]- 452.17483 212.0
[M+Na-2H]- 414.13565 188.4
[M]+ 393.16043 199.7
[M]- 393.16153 199.7
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.