CID 101614252

4alpha-methyl-24-ethyl-5alpha-cholest-22-en-3beta-ol

Structural Information

Molecular Formula
C30H52O
SMILES
CCC(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)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/h9-10,19-28,31H,8,11-18H2,1-7H3/b10-9+/t20-,21+,22?,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey
HSWOGZWSFVSUII-FTLJBMIMSA-N
Compound name
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-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

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 216.9
[M+Na]+ 451.39104 216.5
[M-H]- 427.39454 217.5
[M+NH4]+ 446.43564 234.7
[M+K]+ 467.36498 209.6
[M+H-H2O]+ 411.39908 210.8
[M+HCOO]- 473.40002 217.7
[M+CH3COO]- 487.41567 235.3
[M+Na-2H]- 449.37649 206.8
[M]+ 428.40127 208.2
[M]- 428.40237 208.2
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.