CID 53674638

6beta-hydroxycortisone

Structural Information

Molecular Formula
C21H28O6
SMILES
C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI
InChI=1S/C21H28O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,18+,19-,20-,21-/m0/s1
InChIKey
BCHHPSBWEQCAPG-WTCKOWDJSA-N
Compound name
(6R,8S,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

376.1886 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19588 187.5
[M+Na]+ 399.17782 193.9
[M-H]- 375.18132 188.3
[M+NH4]+ 394.22242 208.2
[M+K]+ 415.15176 188.7
[M+H-H2O]+ 359.18586 183.7
[M+HCOO]- 421.18680 193.1
[M+CH3COO]- 435.20245 214.1
[M+Na-2H]- 397.16327 187.6
[M]+ 376.18805 183.1
[M]- 376.18915 183.1
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.