CID 171119629

Clavufuranolide c

Structural Information

Molecular Formula
C20H30O
SMILES
C/C/1=C\CCC(=C)CC[C@@]2(CC=C3[C@H]2[C@@H](C1)OC3(C)C)C
InChI
InChI=1S/C20H30O/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)21-17)10-12-20(18,5)11-9-14/h8,10,17-18H,1,6-7,9,11-13H2,2-5H3/b15-8+/t17-,18+,20-/m1/s1
InChIKey
GWFUANKORWPORG-PLLMSKFTSA-N
Compound name
(1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.22968 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 167.6
[M+Na]+ 309.21890 175.0
[M-H]- 285.22240 170.6
[M+NH4]+ 304.26350 189.9
[M+K]+ 325.19284 172.0
[M+H-H2O]+ 269.22694 167.0
[M+HCOO]- 331.22788 182.6
[M+CH3COO]- 345.24353 178.6
[M+Na-2H]- 307.20435 167.3
[M]+ 286.22913 164.3
[M]- 286.23023 164.3
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.