CID 131751110

Corchoionoside b

Structural Information

Molecular Formula
C19H28O9
SMILES
CC1=CC(=O)CC(C1(/C=C/C(=O)COC2C(C(C(C(O2)CO)O)O)O)O)(C)C
InChI
InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+
InChIKey
FUXBESIRIBMOMU-SNAWJCMRSA-N
Compound name
4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxo-4-[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

1
References

0
Patents

400.17334 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18062 188.0
[M+Na]+ 423.16256 193.0
[M-H]- 399.16606 188.3
[M+NH4]+ 418.20716 198.6
[M+K]+ 439.13650 192.0
[M+H-H2O]+ 383.17060 183.8
[M+HCOO]- 445.17154 195.9
[M+CH3COO]- 459.18719 214.5
[M+Na-2H]- 421.14801 186.2
[M]+ 400.17279 187.9
[M]- 400.17389 187.9
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.