CID 44257471

Edulenanol

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1(C=CC2=C(C3=C(C=C2O1)OCC4C3OC5=C4C=CC(=C5)O)OC)C
InChI
InChI=1S/C21H20O5/c1-21(2)7-6-13-16(26-21)9-17-18(19(13)23-3)20-14(10-24-17)12-5-4-11(22)8-15(12)25-20/h4-9,14,20,22H,10H2,1-3H3
InChIKey
OHJQLSXZAOJGEK-UHFFFAOYSA-N
Compound name
21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 180.1
[M+Na]+ 375.12029 190.4
[M-H]- 351.12379 188.4
[M+NH4]+ 370.16489 196.6
[M+K]+ 391.09423 189.1
[M+H-H2O]+ 335.12833 173.1
[M+HCOO]- 397.12927 192.0
[M+CH3COO]- 411.14492 191.5
[M+Na-2H]- 373.10574 186.0
[M]+ 352.13052 185.2
[M]- 352.13162 185.2
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.