CID 21118226

Dtxsid50887085

Structural Information

Molecular Formula
C24H34O2
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)COC(=O)C(=C)C)C
InChI
InChI=1S/C24H34O2/c1-16(2)18-8-10-20-19(14-18)9-11-21-23(5,12-7-13-24(20,21)6)15-26-22(25)17(3)4/h8,10,14,16,21H,3,7,9,11-13,15H2,1-2,4-6H3/t21-,23-,24+/m0/s1
InChIKey
UWLWNCBJWXHVRS-OEMFJLHTSA-N
Compound name
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2559 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.26318 190.2
[M+Na]+ 377.24512 200.6
[M+NH4]+ 372.28972 201.2
[M+K]+ 393.21906 189.4
[M-H]- 353.24862 192.7
[M+Na-2H]- 375.23057 194.7
[M]+ 354.25535 192.7
[M]- 354.25645 192.7
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.