CID 169574

Pieristoxin g

Structural Information

Molecular Formula
C20H32O8
SMILES
C[C@]1(CC23[C@H]([C@@H]1CC[C@]2([C@@]([C@@H]4[C@H]5[C@H](O5)C([C@]4([C@@H]([C@H]3O)O)O)(C)C)(C)O)O)O)O
InChI
InChI=1S/C20H32O8/c1-15(2)14-9(28-14)10-17(4,25)19(26)6-5-8-11(21)18(19,7-16(8,3)24)12(22)13(23)20(10,15)27/h8-14,21-27H,5-7H2,1-4H3/t8-,9-,10-,11-,12+,13+,14-,16+,17-,18?,19+,20-/m0/s1
InChIKey
XSEQBUVOXWTHGU-ZFSHFZNVSA-N
Compound name
(2S,3R,4R,6R,8S,9R,10S,11S,14S,15R,17S)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecane-2,3,4,10,11,15,17-heptol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.20972 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.21700 169.9
[M+Na]+ 423.19894 174.4
[M+NH4]+ 418.24354 182.0
[M+K]+ 439.17288 170.5
[M-H]- 399.20244 174.6
[M+Na-2H]- 421.18439 173.9
[M]+ 400.20917 173.5
[M]- 400.21027 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.