CID 5323543

Cratoxyarborenone e

Structural Information

Molecular Formula

C₂₄H₂₆O₆

SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=CC(=C(C(=C3O2)CC=C(C)C)OC)O)C

InChI

InChI=1S/C24H26O6/c1-12(2)6-8-14-17(25)11-18(26)20-21(28)16-10-19(27)23(29-5)15(9-7-13(3)4)22(16)30-24(14)20/h6-7,10-11,25-27H,8-9H2,1-5H3

InChIKey

CJBZJZGULKATPY-UHFFFAOYSA-N

Compound name

1,3,7-trihydroxy-6-methoxy-4,5-bis(3-methylbut-2-enyl)xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 410.17294 Da
Monoisotopic Mass: 6.3
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]+	411.180216	198.7
[M+Na]+	433.162158	208.5
[M-H]-	409.165664	202.0
[M+NH4]+	428.206763	209.2
[M+K]+	449.136098	204.4
[M+H-H2O]+	393.170200	191.3
[M+HCOO]-	455.171141	212.8
[M+CH3COO]-	469.186791	225.9
[M+Na-2H]-	431.147606	197.9
[M]+	410.17239142	206.1
[M]-	410.17348858	206.1

Literature stripe

literature stripe

Patent stripe

patents stripe