CID 5869073

51757-16-5

Structural Information

Molecular Formula
C38H47NO11
SMILES
CC1/C=C\C=C(/C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(O/C=C\C(C(C5C(C(C(C1O)C)OC(O5)(C)C)C)C)OC)C)C)O)\C
InChI
InChI=1S/C38H47NO11/c1-17-12-11-13-18(2)36(45)39-23-16-24(40)26-27(31(23)43)30(42)21(5)34-28(26)35(44)38(9,50-34)47-15-14-25(46-10)19(3)32-22(6)33(20(4)29(17)41)49-37(7,8)48-32/h11-17,19-20,22,25,29,32-33,41-42H,1-10H3,(H,39,45)/b12-11-,15-14-,18-13-
InChIKey
SEJPVDHBDVWGKK-BJNDFOKISA-N
Compound name
(9Z,21Z,23Z)-2,19-dihydroxy-11-methoxy-3,7,12,15,15,18,20,24,32-nonamethyl-8,14,16,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.113,17.05,30]tritriaconta-1(30),2,4,9,21,23,27-heptaene-6,25,29,31-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

693.31494 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.32222 250.4
[M+Na]+ 716.30416 255.4
[M-H]- 692.30766 246.2
[M+NH4]+ 711.34876 251.1
[M+K]+ 732.27810 243.4
[M+H-H2O]+ 676.31220 241.0
[M+HCOO]- 738.31314 252.8
[M+CH3COO]- 752.32879 256.0
[M+Na-2H]- 714.28961 256.1
[M]+ 693.31439 259.5
[M]- 693.31549 259.5
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.