CID 3247059

24(s),25-epoxycholesterol

Structural Information

Molecular Formula
C27H44O2
SMILES
C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI
InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
InChIKey
OSENKJZWYQXHBN-XVYZBDJZSA-N
Compound name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

68
References

818
Patents

400.33414 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.34142 199.3
[M+Na]+ 423.32336 204.3
[M-H]- 399.32686 205.6
[M+NH4]+ 418.36796 214.1
[M+K]+ 439.29730 200.9
[M+H-H2O]+ 383.33140 193.5
[M+HCOO]- 445.33234 202.9
[M+CH3COO]- 459.34799 206.2
[M+Na-2H]- 421.30881 196.6
[M]+ 400.33359 197.7
[M]- 400.33469 197.7
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.