CID 10022771

4,8-diacetyl-t2-tetrol

Structural Information

Molecular Formula
C19H26O8
SMILES
CC1=CC2C(CC1OC(=O)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO
InChI
InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3
InChIKey
UROCTWOJYLMRHO-UHFFFAOYSA-N
Compound name
[11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.16278 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.170056 183.0
[M+Na]+ 405.151998 191.7
[M-H]- 381.155504 188.5
[M+NH4]+ 400.196603 196.5
[M+K]+ 421.125938 192.5
[M+H-H2O]+ 365.160040 181.1
[M+HCOO]- 427.160981 189.8
[M+CH3COO]- 441.176631 217.5
[M+Na-2H]- 403.137446 186.7
[M]+ 382.16223142 192.0
[M]- 382.16332858 192.0
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