CID 29982178

68263-02-5

Structural Information

Molecular Formula
C24H29FO8
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)O)C[C@H](C5=CC(=O)C=C[C@@]53C)O)F)O
InChI
InChI=1S/C24H29FO8/c1-20(2)32-17-9-12-13-8-15(27)14-7-11(26)5-6-21(14,3)23(13,25)16(28)10-22(12,4)24(17,33-20)18(29)19(30)31/h5-7,12-13,15-17,27-28H,8-10H2,1-4H3,(H,30,31)/t12-,13-,15+,16-,17+,21-,22-,23-,24-/m0/s1
InChIKey
CBSSHJZTNNYCED-ZKNYGLMYSA-N
Compound name
2-[(1S,2S,4R,8S,9S,11S,12R,13S,19R)-12-fluoro-11,19-dihydroxy-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-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.18463 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19191 199.5
[M+Na]+ 487.17385 203.4
[M+NH4]+ 482.21845 210.0
[M+K]+ 503.14779 196.8
[M-H]- 463.17735 198.1
[M+Na-2H]- 485.15930 199.0
[M]+ 464.18408 199.8
[M]- 464.18518 199.8
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.