TEMSIROLIMUS ACETONIDE

CAS No.
162635-03-2
CCD No.
CCD00180381
Formula
C59 H91 N O16
MolWeight
1070.36

Basic Information

Product Name: TEMSIROLIMUS ACETONIDE
CAS: 162635-03-2
English Synonyms: TEMSIROLIMUS ACETONIDE ; RAPAMYCIN 42-(2,2,5-TRIMETHYL-1,3-DIOXANE-5-CARBOXYLATE)
MDL Number.: MFCD00934420
H bond acceptor: 17
H bond donor: 2
Smile: 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)OC(=O)C5(COC(OC5)(C)C)C)C)/C)O)OC)C)C)/C)OC
InChi: InChI=1S/C59H91NO16/c1-35-19-15-14-16-20-36(2)47(69-11)31-43-24-22-41(7)59(68,76-43)53(64)54(65)60-26-18-17-21-44(60)55(66)74-48(32-45(61)37(3)28-40(6)51(63)52(71-13)50(62)39(5)27-35)38(4)29-42-23-25-46(49(30-42)70-12)75-56(67)58(10)33-72-57(8,9)73-34-58/h14-16,19-20,28,35,37-39,41-44,46-49,51-52,63,68H,17-18,21-27,29-34H2,1-13H3/b16-14+,19-15+,36-20+,40-28+/t35-,37-,38-,39-,41-,42+,43+,44+,46-,47+,48+,49-,51-,52+,59-/m1/s1
InChiKey: InChIKey=YGGRYGCDSJUKRW-HNXTYUFFSA-N

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