CID 92135909

9d3738geuv

Structural Information

Molecular Formula
C20H31FO4
SMILES
C[C@]12CC[C@H](C=C1[C@@H](C[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F)O)O
InChI
InChI=1S/C20H31FO4/c1-17-6-4-11(22)8-14(17)15(23)9-13-12-5-7-19(3,25)18(12,2)10-16(24)20(13,17)21/h8,11-13,15-16,22-25H,4-7,9-10H2,1-3H3/t11-,12+,13+,15-,16+,17+,18+,19+,20+/m1/s1
InChIKey
FOLOIUYKGZEVJY-PRJKAEIQSA-N
Compound name
(3R,6R,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,6,11,17-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

354.22064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22792 185.8
[M+Na]+ 377.20986 193.7
[M-H]- 353.21336 184.7
[M+NH4]+ 372.25446 209.3
[M+K]+ 393.18380 187.1
[M+H-H2O]+ 337.21790 181.3
[M+HCOO]- 399.21884 189.5
[M+CH3COO]- 413.23449 193.5
[M+Na-2H]- 375.19531 186.8
[M]+ 354.22009 178.6
[M]- 354.22119 178.6
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.