CID 155818805

Fumigatonoid c

Structural Information

Molecular Formula
C25H36O8
SMILES
C[C@H]1CC[C@@H]2[C@@]3([C@]14C[C@@]5([C@H]([C@@H]6[C@@H]([C@@](OC6=O)(O[C@@]5(O4)OC3)C)O)C)C)CCC(=O)OC2(C)C
InChI
InChI=1S/C25H36O8/c1-13-7-8-15-20(3,4)30-16(26)9-10-23(15)12-29-25-21(5,11-24(13,23)33-25)14(2)17-18(27)22(6,32-25)31-19(17)28/h13-15,17-18,27H,7-12H2,1-6H3/t13-,14-,15-,17+,18-,21+,22-,23+,24-,25-/m0/s1
InChIKey
WIDQCQPZDGKHGX-DHFAPYKTSA-N
Compound name
(1R,4S,10R,13S,14S,16R,17S,18R,21S,24S)-24-hydroxy-9,9,13,16,17,21-hexamethyl-2,8,20,22,23-pentaoxahexacyclo[12.8.1.118,21.01,16.04,10.04,14]tetracosane-7,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.24103 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.24831 194.3
[M+Na]+ 487.23025 195.8
[M+NH4]+ 482.27485 203.1
[M+K]+ 503.20419 191.6
[M-H]- 463.23375 197.0
[M+Na-2H]- 485.21570 192.9
[M]+ 464.24048 195.8
[M]- 464.24158 195.8
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.