CID 68208519

17beta-hydroxy steroid

Structural Information

Molecular Formula
C18H30O
SMILES
CC12CCC3C4CCCCC4CCC3C1CC[C@@H]2O
InChI
InChI=1S/C18H30O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h12-17,19H,2-11H2,1H3/t12?,13?,14?,15?,16?,17-,18?/m0/s1
InChIKey
BPQNGYJXSMNOKW-DLBCMHPOSA-N
Compound name
(17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.22968 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 167.4
[M+Na]+ 285.21890 176.1
[M+NH4]+ 280.26350 179.8
[M+K]+ 301.19284 167.9
[M-H]- 261.22240 170.6
[M+Na-2H]- 283.20435 168.5
[M]+ 262.22913 169.5
[M]- 262.23023 169.5
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