CID 13519085

2701-50-0

Structural Information

Molecular Formula
C24H30O4
SMILES
CC(=O)C1(CCC2C1(CCC3C2C=CC4=CC(=O)C5CC5C34C)C)OC(=O)C
InChI
InChI=1S/C24H30O4/c1-13(25)24(28-14(2)26)10-8-18-16-6-5-15-11-21(27)17-12-20(17)23(15,4)19(16)7-9-22(18,24)3/h5-6,11,16-20H,7-10,12H2,1-4H3
InChIKey
ARUYPSAYKHCXNE-UHFFFAOYSA-N
Compound name
(15-acetyl-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

382.21442 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22170 194.0
[M+Na]+ 405.20364 205.0
[M+NH4]+ 400.24824 207.1
[M+K]+ 421.17758 196.0
[M-H]- 381.20714 203.0
[M+Na-2H]- 403.18909 198.9
[M]+ 382.21387 199.7
[M]- 382.21497 199.7
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.