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 200.2
[M+Na]+ 429.26112 204.9
[M+NH4]+ 424.30572 212.4
[M+K]+ 445.23506 194.3
[M-H]- 405.26462 199.4
[M+Na-2H]- 427.24657 201.6
[M]+ 406.27135 200.9
[M]- 406.27245 200.9
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.