CID 65553

Tetrahydrocorticosterone

Structural Information

Molecular Formula
C21H34O4
SMILES
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O
InChI
InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1
InChIKey
RHQQHZQUAMFINJ-DTDWNVJFSA-N
Compound name
1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

41
References

1392
Patents

350.2457 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.252976 187.8
[M+Na]+ 373.234918 190.9
[M-H]- 349.238424 187.6
[M+NH4]+ 368.279523 207.5
[M+K]+ 389.208858 185.3
[M+H-H2O]+ 333.242960 183.1
[M+HCOO]- 395.243901 191.3
[M+CH3COO]- 409.259551 210.0
[M+Na-2H]- 371.220366 185.0
[M]+ 350.24515142 179.0
[M]- 350.24624858 179.0
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.