CID 9575589

Mc-05578

Structural Information

Molecular Formula
C34H50N2O7
SMILES
CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4(C(C=C(/C5=N/OCCN)C)C(=O)O3)O)C)\C)C
InChI
InChI=1S/C34H50N2O7/c1-6-29-23(4)12-13-33(43-29)19-27-18-26(42-33)11-10-22(3)16-21(2)8-7-9-25-20-39-31-30(36-40-15-14-35)24(5)17-28(32(37)41-27)34(25,31)38/h7-10,17,21,23,26-29,31,38H,6,11-16,18-20,35H2,1-5H3/b8-7+,22-10+,25-9+,36-30-/t21-,23-,26+,27-,28?,29+,31+,33+,34+/m0/s1
InChIKey
CRCIEIFQRZHORT-WPWAQTRSSA-N
Compound name
(4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21Z,24S)-21-(2-aminoethoxyimino)-6'-ethyl-24-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.3618 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.36908 247.5
[M+Na]+ 621.35102 249.4
[M-H]- 597.35452 252.0
[M+NH4]+ 616.39562 250.8
[M+K]+ 637.32496 250.4
[M+H-H2O]+ 581.35906 243.5
[M+HCOO]- 643.36000 247.8
[M+CH3COO]- 657.37565 249.8
[M+Na-2H]- 619.33647 243.3
[M]+ 598.36125 244.3
[M]- 598.36235 244.3
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.