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]+ 321.242416 179.6
[M+Na]+ 343.224358 185.8
[M-H]- 319.227864 179.7
[M+NH4]+ 338.268963 203.3
[M+K]+ 359.198298 179.1
[M+H-H2O]+ 303.232400 175.5
[M+HCOO]- 365.233341 184.4
[M+CH3COO]- 379.248991 187.7
[M+Na-2H]- 341.209806 179.3
[M]+ 320.23459142 172.4
[M]- 320.23568858 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.