CID 6445651

Nsc143436

Structural Information

Molecular Formula
C43H58N2O13
SMILES
CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)C(C)C)\C
InChI
InChI=1S/C43H58N2O13/c1-20(2)45(11)31(47)19-55-30-18-28-38(51)33-32(30)34-40(26(8)37(33)50)58-43(10,41(34)52)56-17-16-29(54-12)23(5)39(57-27(9)46)25(7)36(49)24(6)35(48)21(3)14-13-15-22(4)42(53)44-28/h13-18,20-21,23-25,29,35-36,39,48-51H,19H2,1-12H3,(H,44,53)/b14-13+,17-16+,22-15+
InChIKey
UHVMPMMBDGQZQE-GSZGUVCXSA-N
Compound name
[(9E,19E,21E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-27-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

810.39386 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 811.40114 280.6
[M+Na]+ 833.38308 286.3
[M+NH4]+ 828.42768 283.5
[M+K]+ 849.35702 290.0
[M-H]- 809.38658 280.7
[M+Na-2H]- 831.36853 287.7
[M]+ 810.39331 282.3
[M]- 810.39441 282.3
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.