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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	413.159476	197.8
[M+Na]+	435.141418	208.6
[M-H]-	411.144924	201.6
[M+NH4]+	430.186023	209.1
[M+K]+	451.115358	206.2
[M+H-H2O]+	395.149460	190.5
[M+HCOO]-	457.150401	207.2
[M+CH3COO]-	471.166051	224.5
[M+Na-2H]-	433.126866	200.8
[M]+	412.15165142	203.6
[M]-	412.15274858	203.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.