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]+ 413.37778 205.0
[M+Na]+ 435.35972 207.2
[M-H]- 411.36322 208.4
[M+NH4]+ 430.40432 221.7
[M+K]+ 451.33366 202.8
[M+H-H2O]+ 395.36776 199.6
[M+HCOO]- 457.36870 205.3
[M+CH3COO]- 471.38435 210.0
[M+Na-2H]- 433.34517 199.8
[M]+ 412.36995 200.7
[M]- 412.37105 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.