CID 16196969

Dihydroroseoside

Structural Information

Molecular Formula

C₁₉H₃₂O₈

SMILES

CC1CC(=O)CC(C1(/C=C/C(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C

InChI

InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+

InChIKey

QFTPTUOKFIIFJH-AATRIKPKSA-N

Compound name

4-hydroxy-3,3,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 388.20972 Da
Monoisotopic Mass: -0.7
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]+	389.216996	188.7
[M+Na]+	411.198938	192.8
[M-H]-	387.202444	188.6
[M+NH4]+	406.243543	200.0
[M+K]+	427.172878	191.6
[M+H-H2O]+	371.206980	184.9
[M+HCOO]-	433.207921	194.8
[M+CH3COO]-	447.223571	213.0
[M+Na-2H]-	409.184386	185.7
[M]+	388.20917142	186.4
[M]-	388.21026858	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe