CID 494573

11-dihydro-12-norneoquassin

Structural Information

Molecular Formula
C21H30O6
SMILES
CC1C=C(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(O3)O)C)O)C)C)OC
InChI
InChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14-15,17-18,22,24H,7-8H2,1-5H3
InChIKey
ZXEXAUWPQPJYJZ-UHFFFAOYSA-N
Compound name
11,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20422 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21150 188.0
[M+Na]+ 401.19344 197.7
[M+NH4]+ 396.23804 197.6
[M+K]+ 417.16738 189.2
[M-H]- 377.19694 189.7
[M+Na-2H]- 399.17889 187.2
[M]+ 378.20367 190.0
[M]- 378.20477 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.