CID 65588

Norvinisterone

Structural Information

Molecular Formula
C20H28O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h3,12,15-18,22H,1,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
VOJYZDFYEHKHAP-XGXHKTLJSA-N
Compound name
(8R,9S,10R,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

885
Patents

300.20892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 175.0
[M+Na]+ 323.19814 180.4
[M-H]- 299.20164 178.1
[M+NH4]+ 318.24274 198.1
[M+K]+ 339.17208 173.7
[M+H-H2O]+ 283.20618 168.8
[M+HCOO]- 345.20712 184.6
[M+CH3COO]- 359.22277 184.0
[M+Na-2H]- 321.18359 175.3
[M]+ 300.20837 167.1
[M]- 300.20947 167.1
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.