CID 11510446

Dtxsid401318218

Structural Information

Molecular Formula
C29H26O4
SMILES
COC1=C2C=C(CCC3=CC(=C(C=C3)C4=C(CCC5=CC=C(O2)C=C5)C=C(C=C4)O)O)C=C1
InChI
InChI=1S/C29H26O4/c1-32-28-15-8-21-3-2-20-7-13-26(27(31)16-20)25-14-10-23(30)18-22(25)9-4-19-5-11-24(12-6-19)33-29(28)17-21/h5-8,10-18,30-31H,2-4,9H2,1H3
InChIKey
JYKRDVGMNOVIMG-UHFFFAOYSA-N
Compound name
16-methoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,24-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

18
Patents

438.1831 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19038 202.7
[M+Na]+ 461.17232 196.7
[M-H]- 437.17582 184.5
[M+NH4]+ 456.21692 207.1
[M+K]+ 477.14626 199.4
[M+H-H2O]+ 421.18036 201.0
[M+HCOO]- 483.18130 195.9
[M+CH3COO]- 497.19695 199.9
[M+Na-2H]- 459.15777 208.1
[M]+ 438.18255 200.2
[M]- 438.18365 200.2
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.