CID 469215

Annosquamosin a

Structural Information

Molecular Formula
C22H34O4
SMILES
CC(=O)OC[C@@]1(CC23CCC4[C@](CCC[C@]4(C2CC[C@H]1C3)C)(C)C=O)O
InChI
InChI=1S/C22H34O4/c1-15(24)26-14-22(25)12-21-10-7-17-19(2,13-23)8-4-9-20(17,3)18(21)6-5-16(22)11-21/h13,16-18,25H,4-12,14H2,1-3H3/t16-,17?,18?,19-,20+,21?,22+/m0/s1
InChIKey
FCHGRGOUMXZTFS-QZRFJHGNSA-N
Compound name
[(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.2457 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 190.3
[M+Na]+ 385.23492 196.3
[M+NH4]+ 380.27952 203.6
[M+K]+ 401.20886 184.7
[M-H]- 361.23842 190.4
[M+Na-2H]- 383.22037 192.7
[M]+ 362.24515 191.5
[M]- 362.24625 191.5
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.