CID 131751460

(3beta,4alpha,5alpha,9beta)-4,14-dimethyl-9,19-cycloergost-24-en-3-ol

Structural Information

Molecular Formula
C30H50O
SMILES
CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=C(C)C)C)C
InChI
InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h21-26,31H,8-18H2,1-7H3
InChIKey
GNDKFSVEWAUCFH-UHFFFAOYSA-N
Compound name
15-(5,6-dimethylhept-5-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

426.38617 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.39345 207.3
[M+Na]+ 449.37539 210.0
[M-H]- 425.37889 210.9
[M+NH4]+ 444.41999 223.9
[M+K]+ 465.34933 205.4
[M+H-H2O]+ 409.38343 202.3
[M+HCOO]- 471.38437 207.3
[M+CH3COO]- 485.40002 234.2
[M+Na-2H]- 447.36084 201.4
[M]+ 426.38562 203.7
[M]- 426.38672 203.7
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.