CID 131751492

(4alpha,5alpha)-4,14-dimethyl-9,19-cyclocholest-20-en-3-one

Structural Information

Molecular Formula
C29H46O
SMILES
CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1=O)C)C(=C)CCCC(C)C)C
InChI
InChI=1S/C29H46O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h19,21-23,25H,3,7-18H2,1-2,4-6H3
InChIKey
CFOXQEZGDCZKBP-UHFFFAOYSA-N
Compound name
7,12,16-trimethyl-15-(6-methylhept-1-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.35486 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.36214 203.0
[M+Na]+ 433.34408 212.4
[M+NH4]+ 428.38868 218.1
[M+K]+ 449.31802 200.4
[M-H]- 409.34758 213.6
[M+Na-2H]- 431.32953 209.0
[M]+ 410.35431 209.2
[M]- 410.35541 209.2
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.