CID 5281809

Sojagol

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1(CCC2=C(O1)C=CC3=C2OC4=C3C(=O)OC5=C4C=CC(=C5)O)C
InChI
InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3
InChIKey
GSAVLDZAGYKJSO-UHFFFAOYSA-N
Compound name
7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

336.09976 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 173.7
[M+Na]+ 359.08898 187.8
[M-H]- 335.09248 183.6
[M+NH4]+ 354.13358 191.2
[M+K]+ 375.06292 185.9
[M+H-H2O]+ 319.09702 166.8
[M+HCOO]- 381.09796 190.5
[M+CH3COO]- 395.11361 187.1
[M+Na-2H]- 357.07443 182.7
[M]+ 336.09921 182.2
[M]- 336.10031 182.2
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