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

95
Patents

386.17294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.180216 190.2
[M+Na]+ 409.162158 197.3
[M-H]- 385.165664 188.8
[M+NH4]+ 404.206763 201.4
[M+K]+ 425.136098 194.8
[M+H-H2O]+ 369.170200 187.1
[M+HCOO]- 431.171141 202.5
[M+CH3COO]- 445.186791 215.1
[M+Na-2H]- 407.147606 191.8
[M]+ 386.17239142 191.7
[M]- 386.17348858 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