Oxeclosporin
[CAS# 135548-15-1]

Identification

• Name: Oxeclosporin
• Synonyms: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-12-(2-Hydroxyethoxymethyl)-33-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-6,9,18,24-Tetraisobutyl-3,21-Diisopropyl-1,4,7,10,15,19,25,28-Octamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-12-(2-Hydroxyethoxymethyl)-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-6,9,18,24-Tetraisobutyl-3,21-Diisopropyl-1,4,7,10,15,19,25,28-Octamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-12-(2-Hydroxyethoxymethyl)-33-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-1,4,7,10,15,19,25,28-Octamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-Di(Propan-2-Yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
• Molecular Formula: C₆₄H₁₁₅N₁₁O₁₄
• Molecular Weight: 1262.68
• CAS Registry Number: 135548-15-1
• SMILES: [C@H]1(N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@@H](N(C(=O)CN(C([C@@H](NC1=O)CC)=O)C)C)CC(C)C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)COCCO)=O)C)CC(C)C)=O)C)CC(C)C)=O)C)C(C)C)=O)C)[C@@H]([C@@H](C\C=C\C)C)O
• InChI: 1S/C64H115N11O14/c1-24-26-27-42(15)54(78)53-58(82)66-44(25-2)59(83)69(17)34-50(77)70(18)46(30-36(3)4)57(81)68-51(40(11)12)63(87)71(19)47(31-37(5)6)56(80)65-43(16)55(79)67-45(35-89-29-28-76)60(84)72(20)48(32-38(7)8)61(85)73(21)49(33-39(9)10)62(86)74(22)52(41(13)14)64(88)75(53)23/h24,26,36-49,51-54,76,78H,25,27-35H2,1-23H3,(H,65,80)(H,66,82)(H,67,79)(H,68,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1
• InChIKey: XZDDMPMZGYEESG-VNHFGJPGSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 1334.777°C at 760 mmHg (Cal.)
• Flash point: 761.046°C (Cal.)