CID 6434246

19-nortestosterone homofarnesate

Structural Information

Molecular Formula
C34H50O3
SMILES
CC(=C)CCC/C(=C/CC/C(=C/CC(=O)O[C@H]1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)/C)/C
InChI
InChI=1S/C34H50O3/c1-23(2)8-6-9-24(3)10-7-11-25(4)12-19-33(36)37-32-18-17-31-30-15-13-26-22-27(35)14-16-28(26)29(30)20-21-34(31,32)5/h10,12,22,28-32H,1,6-9,11,13-21H2,2-5H3/b24-10+,25-12+/t28?,29?,30?,31?,32-,34?/m0/s1
InChIKey
APZVXKVRBSPNPA-ZJLGTJLASA-N
Compound name
[(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (3E,7E)-4,8,12-trimethyltrideca-3,7,12-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.376 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.38328 234.9
[M+Na]+ 529.36522 232.5
[M-H]- 505.36872 235.7
[M+NH4]+ 524.40982 247.2
[M+K]+ 545.33916 224.9
[M+H-H2O]+ 489.37326 227.4
[M+HCOO]- 551.37420 237.3
[M+CH3COO]- 565.38985 248.9
[M+Na-2H]- 527.35067 223.1
[M]+ 506.37545 229.3
[M]- 506.37655 229.3
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.