CID 470334

2-methoxy-5-[(5s,6s,7r)-4-methoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-yl]phenol

Structural Information

Molecular Formula
C21H24O5
SMILES
C[C@@H]1CC2=CC3=C(C(=C2[C@@H]([C@H]1C)C4=CC(=C(C=C4)OC)O)OC)OCO3
InChI
InChI=1S/C21H24O5/c1-11-7-14-9-17-20(26-10-25-17)21(24-4)19(14)18(12(11)2)13-5-6-16(23-3)15(22)8-13/h5-6,8-9,11-12,18,22H,7,10H2,1-4H3/t11-,12+,18+/m1/s1
InChIKey
CGZOUKRSVJFOGL-SOZUMNATSA-N
Compound name
2-methoxy-5-[(5S,6S,7R)-4-methoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.16238 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 184.6
[M+Na]+ 379.15160 193.3
[M-H]- 355.15510 193.6
[M+NH4]+ 374.19620 198.7
[M+K]+ 395.12554 191.6
[M+H-H2O]+ 339.15964 177.9
[M+HCOO]- 401.16058 199.8
[M+CH3COO]- 415.17623 195.8
[M+Na-2H]- 377.13705 185.5
[M]+ 356.16183 189.4
[M]- 356.16293 189.4
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.