CID 3732009

Sesartemin-(+)

Structural Information

Molecular Formula
C23H26O8
SMILES
COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3
InChIKey
DHWUVPPRBIJJKS-UHFFFAOYSA-N
Compound name
4-methoxy-6-[6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

430.16278 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17006 196.5
[M+Na]+ 453.15200 204.1
[M-H]- 429.15550 211.5
[M+NH4]+ 448.19660 208.5
[M+K]+ 469.12594 206.8
[M+H-H2O]+ 413.16004 194.1
[M+HCOO]- 475.16098 212.6
[M+CH3COO]- 489.17663 208.1
[M+Na-2H]- 451.13745 194.4
[M]+ 430.16223 207.1
[M]- 430.16333 207.1
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

patents stripe