CID 72941711

161740-69-8

Structural Information

Molecular Formula
C24H31FO7
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)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C24H31FO7/c1-20(2)31-17-10-15-14-6-5-12-9-13(26)7-8-21(12,3)23(14,25)16(27)11-22(15,4)24(17,32-20)18(28)19(29)30/h7-9,14-17,19,27,29-30H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,21-,22-,23-,24-/m0/s1
InChIKey
ASTBRKVQRYGLJO-DGGKRYAMSA-N
Compound name
(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2,2-dihydroxyacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.20538 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21266 201.1
[M+Na]+ 473.19460 209.5
[M-H]- 449.19810 203.3
[M+NH4]+ 468.23920 222.5
[M+K]+ 489.16854 206.4
[M+H-H2O]+ 433.20264 197.9
[M+HCOO]- 495.20358 202.1
[M+CH3COO]- 509.21923 208.7
[M+Na-2H]- 471.18005 202.6
[M]+ 450.20483 200.7
[M]- 450.20593 200.7
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

No patent data available for this compound.