CID 131751265

(3beta,5alpha)-14-methyl-9,19-cycloergost-25-en-3-ol

Structural Information

Molecular Formula
C29H48O
SMILES
CC(CCC(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5)O)C)C
InChI
InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3
InChIKey
NEYDVBKPEQZSBX-UHFFFAOYSA-N
Compound name
15-(5,6-dimethylhept-6-en-2-yl)-12,16-dimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

412.3705 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.377776 205.0
[M+Na]+ 435.359718 207.2
[M-H]- 411.363224 208.4
[M+NH4]+ 430.404323 221.7
[M+K]+ 451.333658 202.8
[M+H-H2O]+ 395.367760 199.6
[M+HCOO]- 457.368701 205.3
[M+CH3COO]- 471.384351 210.0
[M+Na-2H]- 433.345166 199.8
[M]+ 412.36995142 200.7
[M]- 412.37104858 200.7
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.