CID 3010860

Dakdd cpd

Structural Information

Molecular Formula
C24H32O6
SMILES
CC(=O)O[C@H]1C[C@@H]2C=C([C@@H](C[C@H]3[C@](C1=O)(CCCC3(C)C)C)OC(=O)C)C(=O)C2=C
InChI
InChI=1S/C24H32O6/c1-13-16-10-17(21(13)27)18(29-14(2)25)12-20-23(4,5)8-7-9-24(20,6)22(28)19(11-16)30-15(3)26/h10,16,18-20H,1,7-9,11-12H2,2-6H3/t16-,18+,19-,20+,24+/m0/s1
InChIKey
REDVWPQXGVFYQX-AYQBYMDZSA-N
Compound name
[(2R,4R,9R,11S,13R)-2-acetyloxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-11-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

416.21988 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22716 193.1
[M+Na]+ 439.20910 199.7
[M-H]- 415.21260 193.6
[M+NH4]+ 434.25370 209.8
[M+K]+ 455.18304 197.2
[M+H-H2O]+ 399.21714 193.1
[M+HCOO]- 461.21808 203.2
[M+CH3COO]- 475.23373 225.5
[M+Na-2H]- 437.19455 189.4
[M]+ 416.21933 192.6
[M]- 416.22043 192.6
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.