CID 42608414

4alpha-methyl-24-ethyl-cholest-8(14)-en-3beta-ol

Structural Information

Molecular Formula
C30H52O
SMILES
CCC(CCC(C)[C@H]1CCC2=C3CCC4[C@@H]([C@H](CC[C@@]4(C3CC[C@]12C)C)O)C)C(C)C
InChI
InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-22,24-25,27-28,31H,8-18H2,1-7H3/t20?,21-,22?,24+,25?,27?,28-,29+,30-/m0/s1
InChIKey
UTQZZSAFUHSAHM-WKGLHVNPSA-N
Compound name
(3S,4S,10S,13R,17R)-17-(5-ethyl-6-methylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.40182 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 217.0
[M+Na]+ 451.39104 217.2
[M-H]- 427.39454 218.0
[M+NH4]+ 446.43564 234.9
[M+K]+ 467.36498 210.8
[M+H-H2O]+ 411.39908 210.6
[M+HCOO]- 473.40002 219.0
[M+CH3COO]- 487.41567 236.1
[M+Na-2H]- 449.37649 207.8
[M]+ 428.40127 210.5
[M]- 428.40237 210.5
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.