CID 5281633

Gartanin

Structural Information

Molecular Formula
C23H24O6
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
InChIKey
OJXQLGQIDIPMTE-UHFFFAOYSA-N
Compound name
1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

172
Patents

396.1573 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.164576 194.6
[M+Na]+ 419.146518 204.4
[M-H]- 395.150024 196.7
[M+NH4]+ 414.191123 204.9
[M+K]+ 435.120458 199.8
[M+H-H2O]+ 379.154560 187.7
[M+HCOO]- 441.155501 207.6
[M+CH3COO]- 455.171151 221.1
[M+Na-2H]- 417.131966 193.8
[M]+ 396.15675142 200.0
[M]- 396.15784858 200.0
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

patents stripe