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]+ 263.236956 166.9
[M+Na]+ 285.218898 169.5
[M-H]- 261.222404 169.2
[M+NH4]+ 280.263503 189.3
[M+K]+ 301.192838 163.9
[M+H-H2O]+ 245.226940 160.5
[M+HCOO]- 307.227881 175.2
[M+CH3COO]- 321.243531 175.4
[M+Na-2H]- 283.204346 166.4
[M]+ 262.22913142 155.9
[M]- 262.23022858 155.9
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.