CID 471690

Erybraedin e

Structural Information

Molecular Formula
C22H20O4
SMILES
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=C5C=COC5=C4)O)C
InChI
InChI=1S/C22H20O4/c1-12(2)3-4-15-18(23)6-5-14-17-11-25-20-10-19-13(7-8-24-19)9-16(20)22(17)26-21(14)15/h3,5-10,17,22-23H,4,11H2,1-2H3
InChIKey
VAVHXRDWDOYXSV-UHFFFAOYSA-N
Compound name
18-(3-methylbut-2-enyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.13617 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14345 181.3
[M+Na]+ 371.12539 191.2
[M-H]- 347.12889 189.9
[M+NH4]+ 366.16999 197.9
[M+K]+ 387.09933 188.5
[M+H-H2O]+ 331.13343 176.8
[M+HCOO]- 393.13437 195.9
[M+CH3COO]- 407.15002 192.9
[M+Na-2H]- 369.11084 183.9
[M]+ 348.13562 187.0
[M]- 348.13672 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.