CID 14021255

Blumealactone a

Structural Information

Molecular Formula
C20H28O6
SMILES
C/C=C(\C)/C(=O)OC1C2C(C(C(CCCC3(C1O3)C)C)O)OC(=O)C2=C
InChI
InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6+
InChIKey
ZMXFZZOCUKHAFO-UXBLZVDNSA-N
Compound name
(10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-2-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

364.1886 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19588 179.7
[M+Na]+ 387.17782 188.6
[M+NH4]+ 382.22242 185.9
[M+K]+ 403.15176 187.0
[M-H]- 363.18132 187.9
[M+Na-2H]- 385.16327 180.1
[M]+ 364.18805 184.0
[M]- 364.18915 184.0
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

patents stripe