CID 11222

18-hydroxycorticosterone

Structural Information

Molecular Formula
C21H30O5
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O
InChI
InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
InChIKey
HFSXHZZDNDGLQN-ZVIOFETBSA-N
Compound name
(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

344
References

1065
Patents

362.20932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21660 187.6
[M+Na]+ 385.19854 191.7
[M-H]- 361.20204 187.8
[M+NH4]+ 380.24314 206.7
[M+K]+ 401.17248 186.2
[M+H-H2O]+ 345.20658 182.8
[M+HCOO]- 407.20752 193.0
[M+CH3COO]- 421.22317 211.2
[M+Na-2H]- 383.18399 186.2
[M]+ 362.20877 181.1
[M]- 362.20987 181.1
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.