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 179.6
[M+Na]+ 343.22436 185.8
[M-H]- 319.22786 179.7
[M+NH4]+ 338.26896 203.3
[M+K]+ 359.19830 179.1
[M+H-H2O]+ 303.23240 175.5
[M+HCOO]- 365.23334 184.4
[M+CH3COO]- 379.24899 187.7
[M+Na-2H]- 341.20981 179.3
[M]+ 320.23459 172.4
[M]- 320.23569 172.4
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.