CID 9575585

(z,2r,5's,6'r)-6'-ethyl-hydroxy-hydroxyimino-5'-tetramethyl-spiro[[?]-2,2'-tetrahydropyran]one

Structural Information

Molecular Formula
C32H45NO7
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)\C)C
InChI
InChI=1S/C32H45NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+,33-28-/t19-,21-,24+,25-,26?,27+,29+,31+,32+/m0/s1
InChIKey
YCAZFHUABUMOIM-PRDTZIBSSA-N
Compound name
(4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21Z,24S)-6'-ethyl-24-hydroxy-21-hydroxyimino-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

555.3196 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.32688 235.4
[M+Na]+ 578.30882 238.7
[M-H]- 554.31232 239.8
[M+NH4]+ 573.35342 240.5
[M+K]+ 594.28276 239.4
[M+H-H2O]+ 538.31686 232.1
[M+HCOO]- 600.31780 234.7
[M+CH3COO]- 614.33345 238.9
[M+Na-2H]- 576.29427 231.9
[M]+ 555.31905 231.5
[M]- 555.32015 231.5
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.