CID 13870574

Fragransin b2

Structural Information

Molecular Formula
C22H28O7
SMILES
CC1C(C(OC1C2=CC(=C(C(=C2)OC)O)OC)C3=CC(=C(C(=C3)OC)O)OC)C
InChI
InChI=1S/C22H28O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-12,21-24H,1-6H3
InChIKey
CAUANPLJFMVCHO-UHFFFAOYSA-N
Compound name
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

404.1835 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19078 196.7
[M+Na]+ 427.17272 209.1
[M+NH4]+ 422.21732 201.8
[M+K]+ 443.14666 206.4
[M-H]- 403.17622 201.4
[M+Na-2H]- 425.15817 199.8
[M]+ 404.18295 199.7
[M]- 404.18405 199.7
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

patents stripe