CID 42608050

Sanggenol o

Structural Information

Molecular Formula

SMILES

CC1(C=CC2=CC(=C3C(=C2O1)C=CC(O3)(C)C)[C@@H]4CC(=O)C5=C(C=C(C=C5O4)O)O)C

InChI

InChI=1S/C25H24O6/c1-24(2)7-5-13-9-16(23-15(22(13)30-24)6-8-25(3,4)31-23)19-12-18(28)21-17(27)10-14(26)11-20(21)29-19/h5-11,19,26-27H,12H2,1-4H3/t19-/m0/s1

InChIKey

NJVSYIMNJLJFLD-IBGZPJMESA-N

Compound name

(2S)-5,7-dihydroxy-2-(2,2,8,8-tetramethylpyrano[2,3-f]chromen-6-yl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

1
Annotation Hits: 0
References: 1
Patents: 420.1573 Da
Monoisotopic Mass: 4.6
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]+	421.16458	201.6
[M+Na]+	443.14652	211.8
[M-H]-	419.15002	210.8
[M+NH4]+	438.19112	213.7
[M+K]+	459.12046	210.8
[M+H-H2O]+	403.15456	191.6
[M+HCOO]-	465.15550	210.1
[M+CH3COO]-	479.17115	211.0
[M+Na-2H]-	441.13197	206.4
[M]+	420.15675	205.0
[M]-	420.15785	205.0

Literature stripe

Patent stripe