CID 65554

5-dihydrocortisone

Structural Information

Molecular Formula
C21H30O5
SMILES
C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1
InChIKey
YCLWEYIBFOLMEM-FNLRALKVSA-N
Compound name
(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

117
Patents

362.20932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21660 186.8
[M+Na]+ 385.19854 191.9
[M-H]- 361.20204 188.2
[M+NH4]+ 380.24314 208.4
[M+K]+ 401.17248 186.6
[M+H-H2O]+ 345.20658 182.2
[M+HCOO]- 407.20752 192.3
[M+CH3COO]- 421.22317 212.9
[M+Na-2H]- 383.18399 186.2
[M]+ 362.20877 180.5
[M]- 362.20987 180.5
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