CID 86173288

(5alpha,14alpha,24r)-14-methylergostan-3-one

Structural Information

Molecular Formula
C29H50O
SMILES
CC(C)C(C)CCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C
InChI
InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h19-22,24-26H,8-18H2,1-7H3
InChIKey
WOVIRZFRRNEFES-UHFFFAOYSA-N
Compound name
17-(5,6-dimethylheptan-2-yl)-10,13,14-trimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

414.38617 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.39345 211.5
[M+Na]+ 437.37539 212.2
[M-H]- 413.37889 213.6
[M+NH4]+ 432.41999 232.1
[M+K]+ 453.34933 206.2
[M+H-H2O]+ 397.38343 204.8
[M+HCOO]- 459.38437 214.1
[M+CH3COO]- 473.40002 233.7
[M+Na-2H]- 435.36084 203.9
[M]+ 414.38562 204.3
[M]- 414.38672 204.3
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.