CID 139200426

Gliomasolide c

Structural Information

Molecular Formula
C18H32O6
SMILES
CCCCC[C@@H]1CCCCC[C@H]([C@@H]([C@@H]([C@@H](/C=C/C(=O)O1)O)O)O)O
InChI
InChI=1S/C18H32O6/c1-2-3-5-8-13-9-6-4-7-10-14(19)17(22)18(23)15(20)11-12-16(21)24-13/h11-15,17-20,22-23H,2-10H2,1H3/b12-11+/t13-,14-,15-,17+,18-/m1/s1
InChIKey
ZMWWERJLHJJXTO-WPCAMVETSA-N
Compound name
(3E,5R,6R,7S,8R,14R)-5,6,7,8-tetrahydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.21988 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22716 183.1
[M+Na]+ 367.20910 185.9
[M-H]- 343.21260 179.8
[M+NH4]+ 362.25370 190.0
[M+K]+ 383.18304 184.1
[M+H-H2O]+ 327.21714 180.8
[M+HCOO]- 389.21808 192.6
[M+CH3COO]- 403.23373 197.8
[M+Na-2H]- 365.19455 179.1
[M]+ 344.21933 176.0
[M]- 344.22043 176.0
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.