CID 131752428

(ent-2alpha,3beta,15beta,16beta)-15,16-epoxy-2,3-kauranediol

Structural Information

Molecular Formula
C20H32O3
SMILES
CC1(C2CCC34CC(CCC3C2(CC(C1O)O)C)C5(C4O5)C)C
InChI
InChI=1S/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3
InChIKey
HFKTUZJPXRDTKA-UHFFFAOYSA-N
Compound name
5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23514 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 177.0
[M+Na]+ 343.22436 187.6
[M+NH4]+ 338.26896 192.7
[M+K]+ 359.19830 177.6
[M-H]- 319.22786 187.3
[M+Na-2H]- 341.20981 182.0
[M]+ 320.23459 183.3
[M]- 320.23569 183.3
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.