CID 443475

Levopimaradienol

Structural Information

Molecular Formula
C20H32O
SMILES
CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C
InChI
InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12,14,17-18,21H,5,7-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1
InChIKey
CYOURYOZWLIJFB-LWYYNNOASA-N
Compound name
[(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthren-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

288.24533 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 174.0
[M+Na]+ 311.23455 185.1
[M+NH4]+ 306.27915 186.7
[M+K]+ 327.20849 173.2
[M-H]- 287.23805 177.5
[M+Na-2H]- 309.22000 179.3
[M]+ 288.24478 177.0
[M]- 288.24588 177.0
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

patents stripe