CID 10298511

Garcinone e

Structural Information

Molecular Formula
C28H32O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3
InChIKey
WVJYEKGQSBGNRP-UHFFFAOYSA-N
Compound name
2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

104
Patents

464.21988 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22716 216.2
[M+Na]+ 487.20910 228.7
[M+NH4]+ 482.25370 219.3
[M+K]+ 503.18304 223.3
[M-H]- 463.21260 216.8
[M+Na-2H]- 485.19455 214.6
[M]+ 464.21933 217.9
[M]- 464.22043 217.9
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