CID 9575586

Mc-05622

Structural Information

Molecular Formula
C32H45NO8
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/O)C)C(=O)O3)O)C)\CO)C
InChI
InChI=1S/C32H45NO8/c1-5-27-20(3)11-12-31(41-27)16-25-15-24(40-31)10-9-22(17-34)13-19(2)7-6-8-23-18-38-29-28(33-37)21(4)14-26(30(35)39-25)32(23,29)36/h6-9,14,19-20,24-27,29,34,36-37H,5,10-13,15-18H2,1-4H3/b7-6+,22-9-,23-8+,33-28-/t19-,20-,24+,25-,26?,27+,29+,31+,32+/m0/s1
InChIKey
YMBPERNRCVMRIM-LJIJYTJDSA-N
Compound name
(4S,5'S,6R,6'R,8R,10Z,13R,14E,16E,20R,21Z,24S)-6'-ethyl-24-hydroxy-21-hydroxyimino-11-(hydroxymethyl)-5',13,22-trimethylspiro[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

571.3145 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.32178 237.8
[M+Na]+ 594.30372 240.4
[M-H]- 570.30722 241.0
[M+NH4]+ 589.34832 241.5
[M+K]+ 610.27766 241.5
[M+H-H2O]+ 554.31176 235.0
[M+HCOO]- 616.31270 235.8
[M+CH3COO]- 630.32835 240.6
[M+Na-2H]- 592.28917 234.7
[M]+ 571.31395 234.0
[M]- 571.31505 234.0
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.