CID 5320083

Glycyrol

Structural Information

Molecular Formula
C21H18O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C
InChI
InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3
InChIKey
LWESBHWAOZORCQ-UHFFFAOYSA-N
Compound name
3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

517
Patents

366.11035 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11763 183.4
[M+Na]+ 389.09957 199.6
[M+NH4]+ 384.14417 190.2
[M+K]+ 405.07351 195.3
[M-H]- 365.10307 188.0
[M+Na-2H]- 387.08502 185.9
[M]+ 366.10980 187.2
[M]- 366.11090 187.2
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