CID 13946349

Sphenostylin a

Structural Information

Molecular Formula
C23H26O6
SMILES
CC(=CCC1=C2C(=CC(=C1OC)OC)C3(COC4=C(C3O2)C=CC(=C4)OC)O)C
InChI
InChI=1S/C23H26O6/c1-13(2)6-8-16-20-17(11-19(26-4)21(16)27-5)23(24)12-28-18-10-14(25-3)7-9-15(18)22(23)29-20/h6-7,9-11,22,24H,8,12H2,1-5H3
InChIKey
BXBXADHYISQJMC-UHFFFAOYSA-N
Compound name
3,8,9-trimethoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-6a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.17294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18022 195.0
[M+Na]+ 421.16216 203.6
[M-H]- 397.16566 201.4
[M+NH4]+ 416.20676 210.2
[M+K]+ 437.13610 202.1
[M+H-H2O]+ 381.17020 188.6
[M+HCOO]- 443.17114 208.4
[M+CH3COO]- 457.18679 223.8
[M+Na-2H]- 419.14761 197.5
[M]+ 398.17239 203.1
[M]- 398.17349 203.1
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.