CID 471684

Macrophyllside c

Structural Information

Molecular Formula
C19H26O9
SMILES
CC1(CCC2=CC(=C(C=C2O1)OC)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C
InChI
InChI=1S/C19H26O9/c1-19(2)5-4-9-6-10(12(25-3)7-11(9)28-19)17(24)27-18-16(23)15(22)14(21)13(8-20)26-18/h6-7,13-16,18,20-23H,4-5,8H2,1-3H3
InChIKey
IHYDHDVDMSIEGF-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.15768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.16496 190.4
[M+Na]+ 421.14690 195.6
[M-H]- 397.15040 193.8
[M+NH4]+ 416.19150 199.3
[M+K]+ 437.12084 196.7
[M+H-H2O]+ 381.15494 183.8
[M+HCOO]- 443.15588 198.2
[M+CH3COO]- 457.17153 216.7
[M+Na-2H]- 419.13235 190.7
[M]+ 398.15713 192.3
[M]- 398.15823 192.3
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.