CID 131801251

Ent-cassa-12,15-dien-2-one

Structural Information

Molecular Formula
C20H30O
SMILES
C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2CC=C1C=C)(CC(=O)CC3(C)C)C
InChI
InChI=1S/C20H30O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,16-18H,1,8-12H2,2-5H3/t13-,16-,17-,18-,20+/m1/s1
InChIKey
UAILOMMIENLFJQ-HSJLDRMUSA-N
Compound name
(4aS,4bR,8S,8aR,10aR)-7-ethenyl-1,1,4a,8-tetramethyl-4,4b,5,8,8a,9,10,10a-octahydro-2H-phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 169.0
[M+Na]+ 309.21890 175.5
[M-H]- 285.22240 173.2
[M+NH4]+ 304.26350 191.3
[M+K]+ 325.19284 170.3
[M+H-H2O]+ 269.22694 162.8
[M+HCOO]- 331.22788 181.0
[M+CH3COO]- 345.24353 207.2
[M+Na-2H]- 307.20435 170.3
[M]+ 286.22913 163.9
[M]- 286.23023 163.9
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.