CID 5088389

Ent-7alpha,12beta-dihydroxy-16-kauren-19,6beta-olide

Structural Information

Molecular Formula
C20H28O4
SMILES
CC12CCCC3(C1C(C(C45C2CC(C(C4)C(=C)C5)O)O)OC3=O)C
InChI
InChI=1S/C20H28O4/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3)15(18)14(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3
InChIKey
OSYJLXUUZYSFTC-UHFFFAOYSA-N
Compound name
4,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

332.19876 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.206036 177.6
[M+Na]+ 355.187978 184.4
[M-H]- 331.191484 179.9
[M+NH4]+ 350.232583 202.7
[M+K]+ 371.161918 178.5
[M+H-H2O]+ 315.196020 173.6
[M+HCOO]- 377.196961 182.3
[M+CH3COO]- 391.212611 186.5
[M+Na-2H]- 353.173426 178.0
[M]+ 332.19821142 173.5
[M]- 332.19930858 173.5
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.