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]+ 293.24751 175.1
[M+Na]+ 315.22945 179.0
[M-H]- 291.23295 176.5
[M+NH4]+ 310.27405 197.9
[M+K]+ 331.20339 172.9
[M+H-H2O]+ 275.23749 169.4
[M+HCOO]- 337.23843 181.6
[M+CH3COO]- 351.25408 183.1
[M+Na-2H]- 313.21490 174.5
[M]+ 292.23968 165.1
[M]- 292.24078 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.