CID 22806124

1597-78-0

Structural Information

Molecular Formula
C24H31FO5
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)F)C
InChI
InChI=1S/C24H31FO5/c1-13-9-18-17-6-5-15-10-16(27)7-8-23(15,4)24(17,25)20(29)11-22(18,3)21(13)19(28)12-30-14(2)26/h7-8,10,13,17-18,20-21,29H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20+,21-,22+,23+,24+/m1/s1
InChIKey
HRPWQACPJGPYRH-XHFUFBBFSA-N
Compound name
[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

418.21555 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.22283 200.4
[M+Na]+ 441.20477 207.0
[M+NH4]+ 436.24937 210.2
[M+K]+ 457.17871 198.1
[M-H]- 417.20827 198.9
[M+Na-2H]- 439.19022 201.0
[M]+ 418.21500 200.9
[M]- 418.21610 200.9
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