CID 3033958

Nordinone

Structural Information

Molecular Formula
C20H28O2
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](CC4=C3CCC4(C)C)O
InChI
InChI=1S/C20H28O2/c1-19(2)8-7-14-15-5-4-12-10-13(21)6-9-20(12,3)18(15)17(22)11-16(14)19/h10,15,17-18,22H,4-9,11H2,1-3H3/t15-,17+,18+,20-/m0/s1
InChIKey
ALFAUJVLIRDQGD-MMTROXRISA-N
Compound name
(8R,9S,10R,11R)-11-hydroxy-10,17,17-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

300.20892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 174.0
[M+Na]+ 323.19814 181.1
[M-H]- 299.20164 177.9
[M+NH4]+ 318.24274 197.7
[M+K]+ 339.17208 174.9
[M+H-H2O]+ 283.20618 168.1
[M+HCOO]- 345.20712 184.9
[M+CH3COO]- 359.22277 184.0
[M+Na-2H]- 321.18359 174.8
[M]+ 300.20837 168.8
[M]- 300.20947 168.8
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.