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]+ 407.27918 201.5
[M+Na]+ 429.26112 204.5
[M-H]- 405.26462 202.5
[M+NH4]+ 424.30572 223.7
[M+K]+ 445.23506 200.7
[M+H-H2O]+ 389.26916 195.9
[M+HCOO]- 451.27010 206.3
[M+CH3COO]- 465.28575 222.2
[M+Na-2H]- 427.24657 201.2
[M]+ 406.27135 199.2
[M]- 406.27245 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.