CID 392450

8-deoxygartanin

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)CC=C(C)C)O)C
InChI
InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
InChIKey
GVQOVMKBYJKZSY-UHFFFAOYSA-N
Compound name
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

70
Patents

380.16238 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.169656 191.3
[M+Na]+ 403.151598 201.0
[M-H]- 379.155104 194.5
[M+NH4]+ 398.196203 202.9
[M+K]+ 419.125538 196.1
[M+H-H2O]+ 363.159640 184.3
[M+HCOO]- 425.160581 205.8
[M+CH3COO]- 439.176231 219.2
[M+Na-2H]- 401.137046 191.5
[M]+ 380.16183142 196.6
[M]- 380.16292858 196.6
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