CID 6451082

Rifamycin z

Structural Information

Molecular Formula
C35H41NO11
SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C(=C(C(=C3C2=O)O)C)O)C(=O)/C(=C\C4C(C(C([C@H]([C@H]([C@@H]([C@H]1O)C)O)C)OC4=O)C)O)/C)/C
InChI
InChI=1S/C35H41NO11/c1-13-9-8-10-14(2)34(45)36-21-12-22(37)23-24(30(42)17(5)31(43)25(23)32(21)44)27(39)15(3)11-20-29(41)19(7)33(47-35(20)46)18(6)28(40)16(4)26(13)38/h8-13,16,18-20,26,28-29,33,38,40-43H,1-7H3,(H,36,45)/b9-8+,14-10-,15-11-/t13-,16+,18-,19?,20?,26-,28-,29?,33?/m0/s1
InChIKey
OPAMTDKYMHWYPP-PLXMGHDHSA-N
Compound name
(2Z,16Z,18E,20S,21S,22R,23S,24S)-6,8,21,23,28-pentahydroxy-3,7,16,20,22,24,29-heptamethyl-26-oxa-14-azatetracyclo[23.2.2.19,13.05,10]triaconta-2,5(10),6,8,12,16,18-heptaene-4,11,15,27,30-pentone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

651.26794 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.27522 277.3
[M+Na]+ 674.25716 284.3
[M-H]- 650.26066 271.7
[M+NH4]+ 669.30176 277.3
[M+K]+ 690.23110 265.1
[M+H-H2O]+ 634.26520 261.3
[M+HCOO]- 696.26614 278.5
[M+CH3COO]- 710.28179 281.0
[M+Na-2H]- 672.24261 279.6
[M]+ 651.26739 285.4
[M]- 651.26849 285.4
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.