CID 71608050

159351-68-5

Structural Information

Molecular Formula
C59H97NO14Si
SMILES
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO[Si](C)(C)C(C)(C)C)C)/C)O)OC)C)C)/C)OC
InChI
InChI=1S/C59H97NO14Si/c1-37-21-17-16-18-22-38(2)49(68-11)35-45-26-24-43(7)59(67,74-45)55(64)56(65)60-28-20-19-23-46(60)57(66)73-50(36-47(61)39(3)32-42(6)53(63)54(70-13)52(62)41(5)31-37)40(4)33-44-25-27-48(51(34-44)69-12)71-29-30-72-75(14,15)58(8,9)10/h16-18,21-22,32,37,39-41,43-46,48-51,53-54,63,67H,19-20,23-31,33-36H2,1-15H3/b18-16+,21-17+,38-22+,42-32+/t37-,39-,40-,41-,43-,44+,45+,46+,48-,49+,50+,51-,53-,54+,59-/m1/s1
InChIKey
OCAIMYVVCQFDKI-JFPHMNFRSA-N
Compound name
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1071.6678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1072.6751 328.8
[M+Na]+ 1094.6570 328.6
[M+NH4]+ 1089.7016 328.5
[M+K]+ 1110.6310 331.8
[M-H]- 1070.6605 323.3
[M+Na-2H]- 1092.6425 344.3
[M]+ 1071.6673 327.6
[M]- 1071.6683 327.6
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.