CID 3082415

18-hydroxy-11-deoxycortisol

Structural Information

Molecular Formula
C21H30O5
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)CO
InChI
InChI=1S/C21H30O5/c1-19-7-4-14(24)10-13(19)2-3-15-16(19)5-8-20(12-23)17(15)6-9-21(20,26)18(25)11-22/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16+,17+,19+,20-,21+/m1/s1
InChIKey
TXZGUJHXOGBBMR-OHXCOFTBSA-N
Compound name
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.20932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21660 188.6
[M+Na]+ 385.19854 193.2
[M-H]- 361.20204 188.8
[M+NH4]+ 380.24314 209.4
[M+K]+ 401.17248 187.5
[M+H-H2O]+ 345.20658 183.8
[M+HCOO]- 407.20752 194.0
[M+CH3COO]- 421.22317 209.6
[M+Na-2H]- 383.18399 189.0
[M]+ 362.20877 182.3
[M]- 362.20987 182.3
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.