CID 13946354

Sphenostylin c

Structural Information

Molecular Formula
C21H24O7
SMILES
CC(C)(CCC1=C2C(=CC(=C1OC)O)C3(COC4=C(C3O2)C=CC(=C4)O)O)O
InChI
InChI=1S/C21H24O7/c1-20(2,24)7-6-13-17-14(9-15(23)18(13)26-3)21(25)10-27-16-8-11(22)4-5-12(16)19(21)28-17/h4-5,8-9,19,22-25H,6-7,10H2,1-3H3
InChIKey
GOAAFLGCSWDGQK-UHFFFAOYSA-N
Compound name
10-(3-hydroxy-3-methylbutyl)-9-methoxy-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

388.1522 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 190.1
[M+Na]+ 411.14142 198.2
[M-H]- 387.14492 193.0
[M+NH4]+ 406.18602 203.7
[M+K]+ 427.11536 196.6
[M+H-H2O]+ 371.14946 185.4
[M+HCOO]- 433.15040 199.0
[M+CH3COO]- 447.16605 215.2
[M+Na-2H]- 409.12687 195.6
[M]+ 388.15165 195.1
[M]- 388.15275 195.1
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.