CID 11821056

Ru54615

Structural Information

Molecular Formula
C38H62N2O11
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCC2=CC=CC=C2)/[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C38H62N2O11/c1-12-29-38(8,45)33(43)24(4)30(39-48-21-47-20-27-16-14-13-15-17-27)22(2)19-37(7,46-11)34(25(5)31(41)26(6)35(44)50-29)51-36-32(42)28(40(9)10)18-23(3)49-36/h13-17,22-26,28-29,32-34,36,42-43,45H,12,18-21H2,1-11H3/b39-30+/t22-,23-,24+,25+,26-,28+,29-,32-,33-,34-,36+,37-,38-/m1/s1
InChIKey
MMUHDZHRJBTJJF-UGPZYNRQSA-N
Compound name
(3R,5R,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-(phenylmethoxymethoxyimino)-oxacyclotetradecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

722.43536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.44264 277.7
[M+Na]+ 745.42458 283.3
[M-H]- 721.42808 274.9
[M+NH4]+ 740.46918 278.4
[M+K]+ 761.39852 264.2
[M+H-H2O]+ 705.43262 264.0
[M+HCOO]- 767.43356 279.5
[M+CH3COO]- 781.44921 290.7
[M+Na-2H]- 743.41003 304.1
[M]+ 722.43481 288.1
[M]- 722.43591 288.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.