CID 20847471

24-ethyl-24-methyl-cholesterol

Structural Information

Molecular Formula
C30H52O
SMILES
CCC(C)(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI
InChI=1S/C30H52O/c1-8-28(5,20(2)3)16-13-21(4)25-11-12-26-24-10-9-22-19-23(31)14-17-29(22,6)27(24)15-18-30(25,26)7/h9,20-21,23-27,31H,8,10-19H2,1-7H3/t21-,23+,24+,25-,26+,27+,28?,29+,30-/m1/s1
InChIKey
AVDOFVAJRSPNNQ-XOMZWEAASA-N
Compound name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-5,6-dimethylheptan-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
1
Annotation Hits

1
References

0
Patents

428.40182 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 217.4
[M+Na]+ 451.39104 217.4
[M-H]- 427.39454 218.3
[M+NH4]+ 446.43564 235.2
[M+K]+ 467.36498 211.1
[M+H-H2O]+ 411.39908 211.2
[M+HCOO]- 473.40002 219.0
[M+CH3COO]- 487.41567 234.5
[M+Na-2H]- 449.37649 211.2
[M]+ 428.40127 210.8
[M]- 428.40237 210.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.