CID 13857517

Corchoionol c 9-glucoside

Structural Information

Molecular Formula
C19H30O8
SMILES
CC1=CC(=O)CC(C1(/C=C/C(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C
InChI
InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+
InChIKey
SWYRVCGNMNAFEK-AATRIKPKSA-N
Compound name
4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

386.19406 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20134 187.4
[M+Na]+ 409.18328 192.5
[M-H]- 385.18678 187.8
[M+NH4]+ 404.22788 198.9
[M+K]+ 425.15722 191.2
[M+H-H2O]+ 369.19132 183.4
[M+HCOO]- 431.19226 195.0
[M+CH3COO]- 445.20791 212.6
[M+Na-2H]- 407.16873 185.2
[M]+ 386.19351 186.5
[M]- 386.19461 186.5
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