CID 131751143

Chinenoside v

Structural Information

Molecular Formula
C45H72O19
SMILES
CC1=C(OC2C1C3(CCC4C(C3C2)CC(=O)C5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)O)O)O)C)C)C(CC(C)COC8C(C(C(C(O8)CO)O)O)O)CO
InChI
InChI=1S/C45H72O19/c1-18(15-58-42-38(56)35(53)33(51)29(14-47)63-42)9-20(13-46)40-19(2)31-28(62-40)12-24-22-11-26(48)25-10-21(5-7-44(25,3)23(22)6-8-45(24,31)4)61-43-39(57)36(54)34(52)30(64-43)17-60-41-37(55)32(50)27(49)16-59-41/h18,20-25,27-39,41-43,46-47,49-57H,5-17H2,1-4H3
InChIKey
WDTQKOJLOMDSGJ-UHFFFAOYSA-N
Compound name
6-[1-hydroxy-4-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl]-7,9,13-trimethyl-16-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-19-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

916.4668 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 917.47408 293.5
[M+Na]+ 939.45602 292.6
[M+NH4]+ 934.50062 293.0
[M+K]+ 955.42996 299.5
[M-H]- 915.45952 287.3
[M+Na-2H]- 937.44147 307.2
[M]+ 916.46625 291.8
[M]- 916.46735 291.8
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.