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]+ 349.143446 181.3
[M+Na]+ 371.125388 191.2
[M-H]- 347.128894 189.9
[M+NH4]+ 366.169993 197.9
[M+K]+ 387.099328 188.5
[M+H-H2O]+ 331.133430 176.8
[M+HCOO]- 393.134371 195.9
[M+CH3COO]- 407.150021 192.9
[M+Na-2H]- 369.110836 183.9
[M]+ 348.13562142 187.0
[M]- 348.13671858 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.