Acetoxy Cyclosporin A Acetate

Product Specifications

CAS Number

138957-23-0

Synonyms

6-[(3R,4R,6E)-3,8-Bis(acetyloxy)-6,7-didehydro-N,4-dimethyl-L-2-aminooctanoic acid]cyclosporin A; Acetoxy Cyclosporin A Acetate; (2E,5R,6R)-6-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-5-methyl-2-hexene-1,6-diyl diacetate

Hazard Statement

No Data Available

Smiles

CC(OC/C=C/C[C@@H](C)[C@@H](OC(C)=O)[C@@H](C(N[C@@H](CC)C(N(C)CC(N(C)[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@H](C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](CC(C)C)C(N(C)C1C(C)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N(C)C1=O)=O

Molecular Formula

C66H115N11O15

Molecular Weight

1302.7

InChI

InChI=1S/C66H115N11O15/c1-26-47-62(86)71(19)35-52(80)72(20)48(31-36(2)3)59(83)70-53(40(10)11)65(89)73(21)49(32-37(4)5)58(82)67-43(15)57(81)68-44(16)61(85)74(22)50(33-38(6)7)63(87)75(23)51(34-39(8)9)64(88)76(24)54(41(12)13)66(90)77(25)55(60(84)69-47)56(92-46(18)79)42(14)29-27-28-30-91-45(17)78/h27-28,36-44,47-51,53-56H,26,29-35H2,1-25H3,(H,67,82)(H,68,81)(H,69,84)(H,70,83)/b28-27+/t42-,43+,44-,47+,48+,49+,50+,51+,53+,54?,55+,56-/m1/s1

Additionnal Information

IUPAC name: [(E,5R,6R)-6-acetyloxy-6-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-5-methylhex-2-enyl] acetate