CID 44258669

Artonin n

Structural Information

Molecular Formula
C30H30O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)CC(C4=C3C(=C5C=CC(OC5=C4O)(C)C)O)C(=C)C)O)C
InChI
InChI=1S/C30H30O7/c1-13(2)7-8-15-19(31)12-20-22(24(15)32)26(34)18-11-17(14(3)4)21-23(28(18)36-20)25(33)16-9-10-30(5,6)37-29(16)27(21)35/h7,9-10,12,17,31-33,35H,3,8,11H2,1-2,4-6H3
InChIKey
GJUZSGIVJPSFRG-UHFFFAOYSA-N
Compound name
5,9,11,14-tetrahydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-6-prop-1-en-2-yl-6,7-dihydrochromeno[7,6-c]xanthen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.19916 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.20644 224.3
[M+Na]+ 525.18838 233.2
[M-H]- 501.19188 228.0
[M+NH4]+ 520.23298 232.3
[M+K]+ 541.16232 230.2
[M+H-H2O]+ 485.19642 215.5
[M+HCOO]- 547.19736 228.0
[M+CH3COO]- 561.21301 246.9
[M+Na-2H]- 523.17383 223.0
[M]+ 502.19861 228.8
[M]- 502.19971 228.8
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.