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 172.5
[M+Na]+ 309.21890 184.3
[M+NH4]+ 304.26350 185.1
[M+K]+ 325.19284 171.8
[M-H]- 285.22240 176.1
[M+Na-2H]- 307.20435 177.3
[M]+ 286.22913 175.6
[M]- 286.23023 175.6
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.