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]+ 289.252606 175.0
[M+Na]+ 311.234548 179.5
[M-H]- 287.238054 176.9
[M+NH4]+ 306.279153 200.6
[M+K]+ 327.208488 172.8
[M+H-H2O]+ 271.242590 168.5
[M+HCOO]- 333.243531 182.7
[M+CH3COO]- 347.259181 183.5
[M+Na-2H]- 309.219996 175.9
[M]+ 288.24478142 166.7
[M]- 288.24587858 166.7
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.