CID 29976839

1260149-96-9

Structural Information

Molecular Formula
C24H29FO6
SMILES
C[C@]12C[C@@H]([C@]3([C@H](C1=C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=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/h7-10,15,17,19,26,28H,5-6,11-12H2,1-4H3/t15-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
ZIASJPXEBODFKN-VZFRDGCYSA-N
Compound name
(1S,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-2,14,17-trien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.19482 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.202096 196.3
[M+Na]+ 455.184038 206.6
[M-H]- 431.187544 200.4
[M+NH4]+ 450.228643 219.4
[M+K]+ 471.157978 202.6
[M+H-H2O]+ 415.192080 191.7
[M+HCOO]- 477.193021 201.3
[M+CH3COO]- 491.208671 205.4
[M+Na-2H]- 453.169486 199.2
[M]+ 432.19427142 197.8
[M]- 432.19536858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.