CID 3321512

(+)-paulownin

Structural Information

Molecular Formula
C20H18O7
SMILES
C1C2C(OCC2(C(O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C20H18O7/c21-20-8-23-18(11-1-3-14-16(5-11)26-9-24-14)13(20)7-22-19(20)12-2-4-15-17(6-12)27-10-25-15/h1-6,13,18-19,21H,7-10H2
InChIKey
CAQZFLPWHBKTTR-UHFFFAOYSA-N
Compound name
3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

370.10526 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 172.5
[M+Na]+ 393.09448 180.7
[M-H]- 369.09798 187.8
[M+NH4]+ 388.13908 187.4
[M+K]+ 409.06842 183.8
[M+H-H2O]+ 353.10252 174.6
[M+HCOO]- 415.10346 185.3
[M+CH3COO]- 429.11911 185.0
[M+Na-2H]- 391.07993 173.0
[M]+ 370.10471 178.1
[M]- 370.10581 178.1
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.