CID 44257418

Elliptinol

Structural Information

Molecular Formula
C20H18O6
SMILES
COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3O)C=CC5=C4C=CO5)OC
InChI
InChI=1S/C20H18O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-19,21H,9H2,1-2H3
InChIKey
ZVEDKPGZOXEGTK-UHFFFAOYSA-N
Compound name
16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.11035 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 176.8
[M+Na]+ 377.09957 187.1
[M-H]- 353.10307 185.5
[M+NH4]+ 372.14417 191.3
[M+K]+ 393.07351 186.7
[M+H-H2O]+ 337.10761 170.1
[M+HCOO]- 399.10855 190.8
[M+CH3COO]- 413.12420 188.6
[M+Na-2H]- 375.08502 183.5
[M]+ 354.10980 184.2
[M]- 354.11090 184.2
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.