CID 227847

5alpha-androstane-11beta,17beta-diol

Structural Information

Molecular Formula
C19H32O2
SMILES
C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4O)C)O
InChI
InChI=1S/C19H32O2/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(21)19(14,2)11-15(20)17(13)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
InChIKey
MGZZPWXYQSLHGQ-YISWTCPOSA-N
Compound name
(5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-11,17-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.24023 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.247506 175.1
[M+Na]+ 315.229448 179.0
[M-H]- 291.232954 176.5
[M+NH4]+ 310.274053 197.9
[M+K]+ 331.203388 172.9
[M+H-H2O]+ 275.237490 169.4
[M+HCOO]- 337.238431 181.6
[M+CH3COO]- 351.254081 183.1
[M+Na-2H]- 313.214896 174.5
[M]+ 292.23968142 165.1
[M]- 292.24077858 165.1
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.