CID 131751415

Annocherin a

Structural Information

Molecular Formula
C24H38O5
SMILES
CC(=O)OCC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(COC(=O)C)O)C)C
InChI
InChI=1S/C24H38O5/c1-16(25)28-14-21(3)9-5-10-22(4)19(21)8-11-23-12-18(6-7-20(22)23)24(27,13-23)15-29-17(2)26/h18-20,27H,5-15H2,1-4H3
InChIKey
OQDCKOUFTOKDOD-UHFFFAOYSA-N
Compound name
[14-(acetyloxymethyl)-14-hydroxy-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2719 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.279176 201.5
[M+Na]+ 429.261118 204.5
[M-H]- 405.264624 202.5
[M+NH4]+ 424.305723 223.7
[M+K]+ 445.235058 200.7
[M+H-H2O]+ 389.269160 195.9
[M+HCOO]- 451.270101 206.3
[M+CH3COO]- 465.285751 222.2
[M+Na-2H]- 427.246566 201.2
[M]+ 406.27135142 199.2
[M]- 406.27244858 199.2
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.