CID 107560

4571-51-1

Structural Information

Molecular Formula
C24H29FO6
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C)F
InChI
InChI=1S/C24H29FO6/c1-12-7-15-16-9-18(25)17-8-14(27)5-6-21(17,3)24(16)20(31-24)10-22(15,4)23(12,29)19(28)11-30-13(2)26/h5-6,8,12,15-16,18,20,29H,7,9-11H2,1-4H3/t12-,15+,16+,18+,20+,21+,22+,23+,24-/m1/s1
InChIKey
ZSDUSKSIXJMQRS-JRNNXUHZSA-N
Compound name
[2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

432.19482 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.202096 197.7
[M+Na]+ 455.184038 207.0
[M-H]- 431.187544 202.6
[M+NH4]+ 450.228643 213.6
[M+K]+ 471.157978 205.0
[M+H-H2O]+ 415.192080 193.6
[M+HCOO]- 477.193021 201.7
[M+CH3COO]- 491.208671 230.5
[M+Na-2H]- 453.169486 199.1
[M]+ 432.19427142 202.7
[M]- 432.19536858 202.7
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

patents stripe