CID 90657801

Syn-stemoden-19-ol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@@]1(CCC[C@]2([C@H]1CC[C@@H]3[C@]24CCC(=C)[C@@H](C3)C4)C)CO
InChI
InChI=1S/C20H32O/c1-14-7-10-20-12-15(14)11-16(20)5-6-17-18(2,13-21)8-4-9-19(17,20)3/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17-,18+,19-,20+/m0/s1
InChIKey
MKQDLCAKPDXHKE-YDRVBMSGSA-N
Compound name
[(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 175.7
[M+Na]+ 311.23455 184.0
[M+NH4]+ 306.27915 190.2
[M+K]+ 327.20849 172.0
[M-H]- 287.23805 178.0
[M+Na-2H]- 309.22000 178.5
[M]+ 288.24478 177.9
[M]- 288.24588 177.9
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.