CID 86566448

9,10-dimethoxypterocarpan-3-o-beta-d-glucoside

Structural Information

Molecular Formula
C23H26O10
SMILES
COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC
InChI
InChI=1S/C23H26O10/c1-28-14-6-5-11-13-9-30-15-7-10(3-4-12(15)20(13)33-21(11)22(14)29-2)31-23-19(27)18(26)17(25)16(8-24)32-23/h3-7,13,16-20,23-27H,8-9H2,1-2H3/t13?,16-,17-,18+,19-,20?,23-/m1/s1
InChIKey
PCIXSTFFMHVOMF-NFOIBEGASA-N
Compound name
(2S,3R,4S,5S,6R)-2-[(9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

462.1526 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.15988 203.3
[M+Na]+ 485.14182 208.9
[M-H]- 461.14532 209.5
[M+NH4]+ 480.18642 209.8
[M+K]+ 501.11576 210.2
[M+H-H2O]+ 445.14986 196.4
[M+HCOO]- 507.15080 209.3
[M+CH3COO]- 521.16645 231.3
[M+Na-2H]- 483.12727 203.7
[M]+ 462.15205 208.5
[M]- 462.15315 208.5
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.