CID 196642

Genkwanol a

Structural Information

Molecular Formula
C30H22O10
SMILES
C1[C@@H]([C@H](OC2=C1C(=CC3=C2C4([C@H](O3)C5=CC=C(C=C5)O)C(=O)C6=C(C=C(C=C6O4)O)O)O)C7=CC=C(C=C7)O)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)30(29(38-23)14-3-7-16(32)8-4-14)28(37)24-20(35)9-17(33)10-22(24)40-30/h1-10,12,21,26,29,31-36H,11H2/t21-,26+,29+,30?/m0/s1
InChIKey
BYBKYSAHKVMKNH-OULVJXPGSA-N
Compound name
(2'R,3'S,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

542.1213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.12858 221.0
[M+Na]+ 565.11052 229.1
[M-H]- 541.11402 232.0
[M+NH4]+ 560.15512 226.7
[M+K]+ 581.08446 228.4
[M+H-H2O]+ 525.11856 214.7
[M+HCOO]- 587.11950 226.2
[M+CH3COO]- 601.13515 227.9
[M+Na-2H]- 563.09597 219.4
[M]+ 542.12075 224.0
[M]- 542.12185 224.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.