CID 131752429

(ent-2alpha,3beta,15beta)-16-kaurene-2,3,15-triol

Structural Information

Molecular Formula
C20H32O3
SMILES
CC1(C2CCC34CC(CCC3C2(CC(C1O)O)C)C(=C)C4O)C
InChI
InChI=1S/C20H32O3/c1-11-12-5-6-15-19(4)10-13(21)17(23)18(2,3)14(19)7-8-20(15,9-12)16(11)22/h12-17,21-23H,1,5-10H2,2-4H3
InChIKey
RSUQJXHMFVYBBS-UHFFFAOYSA-N
Compound name
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-6,7,15-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23514 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 177.8
[M+Na]+ 343.22436 185.1
[M+NH4]+ 338.26896 190.4
[M+K]+ 359.19830 175.4
[M-H]- 319.22786 178.2
[M+Na-2H]- 341.20981 178.5
[M]+ 320.23459 179.1
[M]- 320.23569 179.1
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.