CID 131751083

8,15-dihydroxy-3,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one

Structural Information

Molecular Formula
C22H26O6
SMILES
COC1=C2C=C(CC(C(=O)CCCCC3=CC2=C(C(=C3O)OC)OC)O)C=C1
InChI
InChI=1S/C22H26O6/c1-26-19-9-8-13-10-15(19)16-12-14(20(25)22(28-3)21(16)27-2)6-4-5-7-17(23)18(24)11-13/h8-10,12,18,24-25H,4-7,11H2,1-3H3
InChIKey
VHBRVHUPCPJJMZ-UHFFFAOYSA-N
Compound name
8,15-dihydroxy-3,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

386.17294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 190.2
[M+Na]+ 409.16216 197.3
[M-H]- 385.16566 188.8
[M+NH4]+ 404.20676 201.4
[M+K]+ 425.13610 194.8
[M+H-H2O]+ 369.17020 187.1
[M+HCOO]- 431.17114 202.5
[M+CH3COO]- 445.18679 215.1
[M+Na-2H]- 407.14761 191.8
[M]+ 386.17239 191.7
[M]- 386.17349 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

patents stripe