CID 13946356

Sphenostylin d

Structural Information

Molecular Formula
C22H26O7
SMILES
CC(C)(CCC1=C2C(=CC(=C1OC)OC)C3(COC4=C(C3O2)C=CC(=C4)O)O)O
InChI
InChI=1S/C22H26O7/c1-21(2,24)8-7-14-18-15(10-17(26-3)19(14)27-4)22(25)11-28-16-9-12(23)5-6-13(16)20(22)29-18/h5-6,9-10,20,23-25H,7-8,11H2,1-4H3
InChIKey
WBVOLBHXLNDIRL-UHFFFAOYSA-N
Compound name
10-(3-hydroxy-3-methylbutyl)-8,9-dimethoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.16785 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17513 194.4
[M+Na]+ 425.15707 202.5
[M-H]- 401.16057 198.4
[M+NH4]+ 420.20167 208.1
[M+K]+ 441.13101 201.4
[M+H-H2O]+ 385.16511 189.2
[M+HCOO]- 447.16605 204.4
[M+CH3COO]- 461.18170 220.0
[M+Na-2H]- 423.14252 199.7
[M]+ 402.16730 201.4
[M]- 402.16840 201.4
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

patents stripe