CID 13946352

Sphenostylin b

Structural Information

Molecular Formula
C21H22O6
SMILES
CC(=CCC1=C2C(=CC(=C1OC)O)C3(COC4=C(C3O2)C=CC(=C4)O)O)C
InChI
InChI=1S/C21H22O6/c1-11(2)4-6-14-18-15(9-16(23)19(14)25-3)21(24)10-26-17-8-12(22)5-7-13(17)20(21)27-18/h4-5,7-9,20,22-24H,6,10H2,1-3H3
InChIKey
VNKBPGVSBWRHTG-UHFFFAOYSA-N
Compound name
9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14163 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 186.3
[M+Na]+ 393.13085 195.1
[M-H]- 369.13435 190.5
[M+NH4]+ 388.17545 201.3
[M+K]+ 409.10479 192.4
[M+H-H2O]+ 353.13889 180.9
[M+HCOO]- 415.13983 197.4
[M+CH3COO]- 429.15548 213.9
[M+Na-2H]- 391.11630 189.2
[M]+ 370.14108 190.5
[M]- 370.14218 190.5
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.