Analyte Name

14,39-Dioxabicyclo[33.3.1]nonatriacontane, Amphotericin B deriv.

CAS Number

136280-49-4

Molecular Formula

C117 H211 N O19 Si9

Molecular Weight

2188.692

Accurate Mass

2186.35

SMILES

CC[Si](CC)(CC)O[C@@H]1CC[C@@H](O[Si](CC)(CC)CC)[C@@H](C[C@@H](C[C@@]2(C[C@H](O[Si](CC)(CC)CC)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](NC(=O)OCC4c5ccccc5c6ccccc46)[C@@H]3O[Si](CC)(CC)CC)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H](C)OC(=O)C[C@@H](C1)O[Si](CC)(CC)CC)O2)C(=O)O)OC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC

InChI

InChI=1S/C117H211NO19Si9/c1-33-138(34-2,35-3)129-96-82-83-104(132-141(42-10,43-11)44-12)105(133-142(45-13,46-14)47-15)86-98(131-140(39-7,40-8)41-9)88-117(123-32)89-107(134-143(48-16,49-17)50-18)109(114(120)121)106(128-117)85-95(77-71-69-67-65-63-61-60-62-64-66-68-70-76-91(28)111(135-144(51-19,52-20)53-21)92(29)93(30)125-108(119)87-97(84-96)130-139(36-4,37-5)38-6)127-115-113(137-146(57-25,58-26)59-27)110(112(94(31)126-115)136-145(54-22,55-23)56-24)118-116(122)124-90-103-101-80-74-72-78-99(101)100-79-73-75-81-102(100)103/h60-81,91-98,103-107,109-113,115H,33-59,82-90H2,1-32H3,(H,118,122)(H,120,121)/b61-60+,64-62+,65-63+,68-66+,69-67+,76-70+,77-71+/t91-,92-,93-,94+,95-,96+,97+,98-,104+,105+,106-,107-,109-,110-,111?,112+,113-,115-,117+/m0/s1

IUPAC

(1R,3S,5R,6R,9R,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methyl-3,5-bis(triethylsilyloxy)oxan-2-yl]oxy-1-methoxy-15,16,18-trimethyl-13-oxo-3,5,6,9,11,17,37-heptakis(triethylsilyloxy)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat