CID 44258663

Artonin j

Structural Information

Molecular Formula
C25H24O7
SMILES
CC(=CCC1=C(C2=C3C(CC4=C2OC5=CC(=CC(=C5C4=O)O)O)C(OC3=C1O)(C)C)O)C
InChI
InChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3
InChIKey
WQIPFMCXBWXUAV-UHFFFAOYSA-N
Compound name
6,8,17,19-tetrahydroxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

436.1522 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 202.9
[M+Na]+ 459.14142 216.0
[M+NH4]+ 454.18602 210.2
[M+K]+ 475.11536 211.0
[M-H]- 435.14492 205.9
[M+Na-2H]- 457.12687 201.1
[M]+ 436.15165 205.8
[M]- 436.15275 205.8
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.