CID 44257474

Edulaan

Structural Information

Molecular Formula
C22H22O5
SMILES
CC1(C=CC2=C(C3=C(C=C2O1)OCC4C3OC5=C4C=CC(=C5)OC)OC)C
InChI
InChI=1S/C22H22O5/c1-22(2)8-7-14-17(27-22)10-18-19(20(14)24-4)21-15(11-25-18)13-6-5-12(23-3)9-16(13)26-21/h5-10,15,21H,11H2,1-4H3
InChIKey
NURXAZUGLCCIRI-UHFFFAOYSA-N
Compound name
6,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 184.7
[M+Na]+ 389.13595 195.0
[M-H]- 365.13945 194.1
[M+NH4]+ 384.18055 201.3
[M+K]+ 405.10989 194.2
[M+H-H2O]+ 349.14399 177.2
[M+HCOO]- 411.14493 197.8
[M+CH3COO]- 425.16058 196.3
[M+Na-2H]- 387.12140 190.3
[M]+ 366.14618 191.7
[M]- 366.14728 191.7
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.