CID 131751699

Fevicordin b 2-gentiobioside

Structural Information

Molecular Formula
C43H64O18
SMILES
CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C
InChI
InChI=1S/C43H64O18/c1-18-20-9-10-26-40(5)14-22(46)36(43(8,56)27(47)11-12-39(3,4)61-19(2)45)41(40,6)15-28(48)42(26,7)21(20)13-23(29(18)49)58-38-35(55)33(53)31(51)25(60-38)17-57-37-34(54)32(52)30(50)24(16-44)59-37/h13,22,24-26,30-38,44,46,49-56H,9-12,14-17H2,1-8H3
InChIKey
VZFXZQQZJZPIGO-UHFFFAOYSA-N
Compound name
[6-[3,16-dihydroxy-4,9,13,14-tetramethyl-11-oxo-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

868.40924 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 869.41652 271.3
[M+Na]+ 891.39846 270.9
[M+NH4]+ 886.44306 271.3
[M+K]+ 907.37240 276.6
[M-H]- 867.40196 265.4
[M+Na-2H]- 889.38391 287.0
[M]+ 868.40869 269.8
[M]- 868.40979 269.8
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.