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]+ 281.138346 161.0
[M+Na]+ 303.120288 170.6
[M-H]- 279.123794 166.4
[M+NH4]+ 298.164893 168.1
[M+K]+ 319.094228 174.5
[M+H-H2O]+ 263.128330 162.4
[M+HCOO]- 325.129271 168.8
[M+CH3COO]- 339.144921 170.5
[M+Na-2H]- 301.105736 165.4
[M]+ 280.13052142 168.4
[M]- 280.13161858 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.