CID 23426978

Clavirolide c

Structural Information

Molecular Formula
C20H30O3
SMILES
C[C@H]1CC[C@@]2(CCC3=C(C(=O)O[C@@H]([C@H]32)C[C@@H](CC(=O)C1)C)C)C
InChI
InChI=1S/C20H30O3/c1-12-5-7-20(4)8-6-16-14(3)19(22)23-17(18(16)20)11-13(2)10-15(21)9-12/h12-13,17-18H,5-11H2,1-4H3/t12-,13+,17+,18-,20+/m0/s1
InChIKey
YPAYJFSZNKIHQZ-FPRUZAOXSA-N
Compound name
(1R,3S,7S,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadec-13-ene-5,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.21948 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 174.7
[M+Na]+ 341.20870 181.0
[M-H]- 317.21220 177.1
[M+NH4]+ 336.25330 192.0
[M+K]+ 357.18264 178.8
[M+H-H2O]+ 301.21674 173.3
[M+HCOO]- 363.21768 186.3
[M+CH3COO]- 377.23333 206.9
[M+Na-2H]- 339.19415 172.9
[M]+ 318.21893 170.3
[M]- 318.22003 170.3
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.