CID 3048743

63972-31-6

Structural Information

Molecular Formula
C23H24O10
SMILES
CC1C2=C(CC(O1)CC(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C5CC(C4(C(O5)C)O)O)O
InChI
InChI=1S/C23H24O10/c1-7-14-10(4-9(32-7)5-13(25)31-3)19(26)16-17(20(14)27)22(29)18-15(21(16)28)11-6-12(24)23(18,30)8(2)33-11/h7-9,11-12,24,26-27,30H,4-6H2,1-3H3
InChIKey
RNQSCXROYAIAJC-UHFFFAOYSA-N
Compound name
methyl 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.13693 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14421 199.6
[M+Na]+ 483.12615 208.6
[M+NH4]+ 478.17075 206.2
[M+K]+ 499.10009 204.2
[M-H]- 459.12965 198.4
[M+Na-2H]- 481.11160 191.3
[M]+ 460.13638 200.4
[M]- 460.13748 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.