CID 5284311

24-nor-5beta-chol-22-ene-3alpha,12alpha-diol

Structural Information

Molecular Formula
C23H38O2
SMILES
C[C@H](C=C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C23H38O2/c1-5-14(2)18-8-9-19-17-7-6-15-12-16(24)10-11-22(15,3)20(17)13-21(25)23(18,19)4/h5,14-21,24-25H,1,6-13H2,2-4H3/t14-,15-,16-,17+,18-,19+,20+,21+,22+,23-/m1/s1
InChIKey
DLLRHKDJYXGAHY-XQNRYLPDSA-N
Compound name
(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.28717 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29445 190.7
[M+Na]+ 369.27639 193.6
[M-H]- 345.27989 191.5
[M+NH4]+ 364.32099 211.3
[M+K]+ 385.25033 186.8
[M+H-H2O]+ 329.28443 185.2
[M+HCOO]- 391.28537 194.7
[M+CH3COO]- 405.30102 213.6
[M+Na-2H]- 367.26184 186.4
[M]+ 346.28662 181.0
[M]- 346.28772 181.0
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.