CID 66255

Norbolethone

Structural Information

Molecular Formula
C21H32O2
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C21H32O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey
FTBJKONNNSKOLX-XUDSTZEESA-N
Compound name
(8R,9S,10R,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

770
Patents

316.24023 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 181.1
[M+Na]+ 339.22945 190.1
[M+NH4]+ 334.27405 193.7
[M+K]+ 355.20339 180.0
[M-H]- 315.23295 183.7
[M+Na-2H]- 337.21490 183.1
[M]+ 316.23968 183.3
[M]- 316.24078 183.3
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

patents stripe