CID 29976836

1893-84-1

Structural Information

Molecular Formula
C24H29FO6
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C=CC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C24H29FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h5-9,15-17,19,26,28H,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
JWPZLQJLMNKVAZ-JNQJZLCISA-N
Compound name
(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17,19-trien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.19482 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20210 196.3
[M+Na]+ 455.18404 206.6
[M-H]- 431.18754 200.4
[M+NH4]+ 450.22864 219.4
[M+K]+ 471.15798 202.6
[M+H-H2O]+ 415.19208 191.7
[M+HCOO]- 477.19302 201.3
[M+CH3COO]- 491.20867 205.4
[M+Na-2H]- 453.16949 199.2
[M]+ 432.19427 197.8
[M]- 432.19537 197.8
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.