CID 75144795

2,6,9-trihydroxy-1,5,10-trimethyl-11-propan-2-yl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadec-11-ene-13,15-dione

Structural Information

Molecular Formula
C20H28O6
SMILES
CC1CCC2(C3(CC4(C(C(=CC3=O)C(C)C)(C(=O)C2(C1O)O4)C)O)C)O
InChI
InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3
InChIKey
GUZTTZMSRBAQKX-UHFFFAOYSA-N
Compound name
2,6,9-trihydroxy-1,5,10-trimethyl-11-propan-2-yl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadec-11-ene-13,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

364.1886 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19588 166.8
[M+Na]+ 387.17782 171.6
[M+NH4]+ 382.22242 178.4
[M+K]+ 403.15176 164.3
[M-H]- 363.18132 165.1
[M+Na-2H]- 385.16327 169.0
[M]+ 364.18805 167.4
[M]- 364.18915 167.4
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

patents stripe