CID 52931340

14alpha-methyl-5alpha-cholest-9(11)-en-3beta-ol

Structural Information

Molecular Formula
C28H48O
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C
InChI
InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h14,19-23,25,29H,7-13,15-18H2,1-6H3/t20-,21+,22+,23-,25?,26+,27-,28+/m1/s1
InChIKey
ZQWIMCCBIVTVLN-UKGPDSGGSA-N
Compound name
(3S,5S,10S,13R,14S,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.3705 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.37778 208.4
[M+Na]+ 423.35972 210.2
[M-H]- 399.36322 209.9
[M+NH4]+ 418.40432 229.3
[M+K]+ 439.33366 203.6
[M+H-H2O]+ 383.36776 201.7
[M+HCOO]- 445.36870 212.3
[M+CH3COO]- 459.38435 227.9
[M+Na-2H]- 421.34517 202.9
[M]+ 400.36995 202.0
[M]- 400.37105 202.0
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.