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]+ 465.191906 200.7
[M+Na]+ 487.173848 209.8
[M-H]- 463.177354 203.1
[M+NH4]+ 482.218453 221.5
[M+K]+ 503.147788 207.1
[M+H-H2O]+ 447.181890 198.3
[M+HCOO]- 509.182831 201.9
[M+CH3COO]- 523.198481 231.0
[M+Na-2H]- 485.159296 202.6
[M]+ 464.18408142 201.6
[M]- 464.18517858 201.6
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.