CID 44257404

Villosone

Structural Information

Molecular Formula
C23H18O8
SMILES
CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=O)OC)OC)O
InChI
InChI=1S/C23H18O8/c1-9(2)13-6-11-14(29-13)7-12(24)19-20(25)18-10-5-16(27-3)17(28-4)8-15(10)30-23(26)22(18)31-21(11)19/h5,7-8,13,24H,1,6H2,2-4H3
InChIKey
NNRGXPSSXAAPIW-UHFFFAOYSA-N
Compound name
10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaene-12,21-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.10016 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10744 195.9
[M+Na]+ 445.08938 208.7
[M-H]- 421.09288 205.8
[M+NH4]+ 440.13398 207.7
[M+K]+ 461.06332 208.5
[M+H-H2O]+ 405.09742 188.8
[M+HCOO]- 467.09836 210.8
[M+CH3COO]- 481.11401 207.6
[M+Na-2H]- 443.07483 199.9
[M]+ 422.09961 208.3
[M]- 422.10071 208.3
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.