CID 157009914

24-ethylcholesta-5-en-7beta-ol

Structural Information

Molecular Formula
C29H50O
SMILES
CCC(CC[C@@H](C)C1CCC2[C@@]1(CCC3C2[C@H](C=C4[C@@]3(CCCC4)C)O)C)C(C)C
InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21?,23?,24?,25?,26+,27?,28+,29-/m1/s1
InChIKey
DYMJMYRIBWWKMH-WCZAINPMSA-N
Compound name
(7R,10R,13R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.38617 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.393446 213.8
[M+Na]+ 437.375388 213.6
[M-H]- 413.378894 214.7
[M+NH4]+ 432.419993 232.0
[M+K]+ 453.349328 207.2
[M+H-H2O]+ 397.383430 207.1
[M+HCOO]- 459.384371 216.2
[M+CH3COO]- 473.400021 232.0
[M+Na-2H]- 435.360836 205.6
[M]+ 414.38562142 206.6
[M]- 414.38671858 206.6
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.