CID 13809

Volon a solubile

Structural Information

Molecular Formula
C24H32FO9P
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COP(=O)(O)O)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
NXLTXRVPGUCAHF-JNQJZLCISA-N
Compound name
[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

514.1768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.18408 205.2
[M+Na]+ 537.16602 207.5
[M+NH4]+ 532.21062 214.5
[M+K]+ 553.13996 202.1
[M-H]- 513.16952 202.6
[M+Na-2H]- 535.15147 204.7
[M]+ 514.17625 204.9
[M]- 514.17735 204.9
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