CID 6476312

Mc-05673

Structural Information

Molecular Formula
C34H51NO8
SMILES
C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C(/[C@@]4(C[C@@H](C(=CC4C(=O)O3)C)OC)O)\COC(=O)CN)C)\C)O[C@@H]1C
InChI
InChI=1S/C34H51NO8/c1-21-8-7-9-26(20-40-31(36)19-35)34(38)18-30(39-6)24(4)15-29(34)32(37)41-28-16-27(11-10-22(2)14-21)43-33(17-28)13-12-23(3)25(5)42-33/h7-10,15,21,23,25,27-30,38H,11-14,16-20,35H2,1-6H3/b8-7+,22-10+,26-9+/t21-,23-,25+,27+,28-,29?,30-,33-,34+/m0/s1
InChIKey
WRPMWKJXWVUWHK-UUVMHHJOSA-N
Compound name
[(1S,5'S,6'R,7S,9S,10E,12E,14R,16E,19R,21R)-9-hydroxy-7-methoxy-5',6,6',14,16-pentamethyl-3-oxospiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-10-yl]methyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.36145 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.36873 251.1
[M+Na]+ 624.35067 252.8
[M-H]- 600.35417 253.8
[M+NH4]+ 619.39527 252.4
[M+K]+ 640.32461 254.6
[M+H-H2O]+ 584.35871 246.3
[M+HCOO]- 646.35965 250.2
[M+CH3COO]- 660.37530 259.5
[M+Na-2H]- 622.33612 245.9
[M]+ 601.36090 247.5
[M]- 601.36200 247.5
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.