CID 44159808

Garcinone c

Structural Information

Molecular Formula
C23H26O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
InChI
InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
InChIKey
HLOCLVMUASBDDP-UHFFFAOYSA-N
Compound name
1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

69
Patents

414.16785 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.175126 199.5
[M+Na]+ 437.157068 208.6
[M-H]- 413.160574 200.3
[M+NH4]+ 432.201673 208.4
[M+K]+ 453.131008 205.0
[M+H-H2O]+ 397.165110 193.0
[M+HCOO]- 459.166051 210.2
[M+CH3COO]- 473.181701 222.4
[M+Na-2H]- 435.142516 200.9
[M]+ 414.16730142 205.5
[M]- 414.16839858 205.5
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