CID 85234534

16-methyl-epi-nigakihemiacetal b

Structural Information

Molecular Formula
C23H32O6
SMILES
CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)OC)C)OC)C)C)OC
InChI
InChI=1S/C23H32O6/c1-11-8-15(26-5)21(25)23(4)13(11)9-16-22(3)14(10-17(27-6)29-16)12(2)19(28-7)18(24)20(22)23/h8,11,13-14,16-17,20H,9-10H2,1-7H3
InChIKey
MSXBIQMJEOYRDV-UHFFFAOYSA-N
Compound name
4,11,15-trimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.21988 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.22716 195.0
[M+Na]+ 427.20910 206.3
[M+NH4]+ 422.25370 205.1
[M+K]+ 443.18304 196.6
[M-H]- 403.21260 197.9
[M+Na-2H]- 425.19455 195.7
[M]+ 404.21933 197.8
[M]- 404.22043 197.8
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.