CID 10916629

Garcimangosone c

Structural Information

Molecular Formula
C23H24O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C3O)OC(C(C4)O)(C)C)O)C
InChI
InChI=1S/C23H24O7/c1-10(2)5-6-11-13(24)8-16-19(20(11)27)21(28)18-12-7-17(26)23(3,4)30-15(12)9-14(25)22(18)29-16/h5,8-9,17,24-27H,6-7H2,1-4H3
InChIKey
VPNBQMUAQMFCCW-UHFFFAOYSA-N
Compound name
2,6,9,11-tetrahydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-1,2-dihydropyrano[3,2-a]xanthen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.1522 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15948 197.8
[M+Na]+ 435.14142 208.6
[M-H]- 411.14492 201.6
[M+NH4]+ 430.18602 209.1
[M+K]+ 451.11536 206.2
[M+H-H2O]+ 395.14946 190.5
[M+HCOO]- 457.15040 207.2
[M+CH3COO]- 471.16605 224.5
[M+Na-2H]- 433.12687 200.8
[M]+ 412.15165 203.6
[M]- 412.15275 203.6
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

No patent data available for this compound.