CID 73880643

(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-diepoxy-6-hydroxy-7(11)-germacren-12,8-olide

Structural Information

Molecular Formula
C15H20O5
SMILES
CC1=C2C(CC3(C(O3)CCC4(C(C2O)O4)C)C)OC1=O
InChI
InChI=1S/C15H20O5/c1-7-10-8(18-13(7)17)6-15(3)9(19-15)4-5-14(2)12(20-14)11(10)16/h8-9,11-12,16H,4-6H2,1-3H3
InChIKey
BWSYOMVQMMVGIN-UHFFFAOYSA-N
Compound name
2-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 161.0
[M+Na]+ 303.12029 170.6
[M-H]- 279.12379 166.4
[M+NH4]+ 298.16489 168.1
[M+K]+ 319.09423 174.5
[M+H-H2O]+ 263.12833 162.4
[M+HCOO]- 325.12927 168.8
[M+CH3COO]- 339.14492 170.5
[M+Na-2H]- 301.10574 165.4
[M]+ 280.13052 168.4
[M]- 280.13162 168.4
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.