CID 131751785

Fevicordin b 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C49H74O22
SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC4=C(C(=C5CCC6C7(CC(C(C7(CC(=O)C6(C5=C4)C)C)C(C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C)C)O)O)O)O)CO)O)O)O
InChI
InChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3
InChIKey
MTLIDTCASADKNT-UHFFFAOYSA-N
Compound name
[6-[2-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,16-dihydroxy-4,9,13,14-tetramethyl-11-oxo-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

1014.46716 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1015.4744 303.8
[M+Na]+ 1037.4564 306.9
[M-H]- 1013.4599 303.9
[M+NH4]+ 1032.5010 305.4
[M+K]+ 1053.4303 301.0
[M+H-H2O]+ 997.46442 298.1
[M+HCOO]- 1059.4654 305.9
[M+CH3COO]- 1073.4810 308.3
[M+Na-2H]- 1035.4418 328.5
[M]+ 1014.4666 308.4
[M]- 1014.4677 308.4
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.